N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide

C23H30N2O3S — CID 133202157

IUPACN-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)N3CCCC(C)C3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O3S/c1-17-7-8-19(3)22(14-17)25(29(4,27)28)16-20-9-11-21(12-10-20)23(26)24-13-5-6-18(2)15-24/h7-12,14,18H,5-6,13,15-16H2,1-4H3
InChIKeyQCBRZAJKHZINAT-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.14
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide

N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide (PubChem CID 133202157) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
PubChem CID133202157
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)N3CCCC(C)C3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H30N2O3S/c1-17-7-8-19(3)22(14-17)25(29(4,27)28)16-20-9-11-21(12-10-20)23(26)24-13-5-6-18(2)15-24/h7-12,14,18H,5-6,13,15-16H2,1-4H3
InChIKeyQCBRZAJKHZINAT-UHFFFAOYSA-N
XLogP4.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287788
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125049688
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94028182
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571603
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 100589214
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132566
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide (CID 133202157) is N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide is Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCCC(C)C3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
The InChIKey is QCBRZAJKHZINAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-7-8-19(3)22(14-17)25(29(4,27)28)16-20-9-11-21(12-10-20)23(26)24-13-5-6-18(2)15-24/h7-12,14,18H,5-6,13,15-16H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide?
N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 133202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).