N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide

C120H182N12O11S4 — CID 157238734

IUPACN-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(-c2cnc[nH]2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H26N2O.C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H25NO2S.C14H23NO2S.2C13H16N2/c1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);8-11H,6-7,12H2,1-5H3;7-10H,6,11H2,1-5H3;4-9H,1-3H3,(H,14,15);4-10H,1-3H3
InChIKeyAUYNHWNNDJZFRQ-UHFFFAOYSA-N
MW2097.12 g/mol
LogP25.11
Rot. Bonds23

About N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide

N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide (PubChem CID 157238734) has the molecular formula C120H182N12O11S4 and a molecular weight of 2097.12 g/mol. Its IUPAC name is N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
PubChem CID157238734
Molecular FormulaC120H182N12O11S4
Molecular Weight2097.12 g/mol
Exact Mass2095.29
IUPAC NameN-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(-c2cnc[nH]2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H26N2O.C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H25NO2S.C14H23NO2S.2C13H16N2/c1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);8-11H,6-7,12H2,1-5H3;7-10H,6,11H2,1-5H3;4-9H,1-3H3,(H,14,15);4-10H,1-3H3
InChIKeyAUYNHWNNDJZFRQ-UHFFFAOYSA-N
XLogP25.11
TPSA289.72 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.12
LogP ≤ 525.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide with MolForge

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
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CID 51672183
N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[3-(N-butylanilino)propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448135
1-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-pentylthiourea
CID 11937810
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
N-[3-[benzyl(butyl)amino]propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448141
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The IUPAC name of N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide (CID 157238734) is N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide.
What is the SMILES notation for N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The canonical SMILES for N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide is CC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(-c2cnc[nH]2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The InChIKey is AUYNHWNNDJZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H25NO2S.C14H23NO2S.2C13H16N2/c1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);8-11H,6-7,12H2,1-5H3;7-10H,6,11H2,1-5H3;4-9H,1-3H3,(H,14,15);4-10H,1-3H3.
What are the key properties of N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide has a molecular weight of 2097.12 g/mol, XLogP of 25.11, 23 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide is sourced from PubChem (CID 157238734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).