N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine

C68H103N7O9S2 — CID 162047393

IUPACN-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(C(=O)NCCN(C)C)cc1.CC(C)c1ccc(C(=O)OCCCN(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CCN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O2S.C15H23NO2.C14H22N2O.C13H19NO3S.C11H15NO/c1-4-16-9-11-17(12-10-16)20(18,19)15-7-5-14(6-8-15)13(2)3;1-12(2)13-6-8-14(9-7-13)15(17)18-11-5-10-16(3)4;1-11(2)12-5-7-13(8-6-12)14(17)15-9-10-16(3)4;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-8(2)9-4-6-10(7-5-9)11(13)12-3/h5-8,13H,4,9-12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3,(H,15,17);3-6,11H,7-10H2,1-2H3;4-8H,1-3H3,(H,12,13)
InChIKeyYYBOQJUJSBMXAK-UHFFFAOYSA-N
MW1226.75 g/mol
LogP11.16
Rot. Bonds20

About N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine

N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 162047393) has the molecular formula C68H103N7O9S2 and a molecular weight of 1226.75 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID162047393
Molecular FormulaC68H103N7O9S2
Molecular Weight1226.75 g/mol
Exact Mass1225.73
IUPAC NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(C(=O)NCCN(C)C)cc1.CC(C)c1ccc(C(=O)OCCCN(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CCN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O2S.C15H23NO2.C14H22N2O.C13H19NO3S.C11H15NO/c1-4-16-9-11-17(12-10-16)20(18,19)15-7-5-14(6-8-15)13(2)3;1-12(2)13-6-8-14(9-7-13)15(17)18-11-5-10-16(3)4;1-11(2)12-5-7-13(8-6-12)14(17)15-9-10-16(3)4;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-8(2)9-4-6-10(7-5-9)11(13)12-3/h5-8,13H,4,9-12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3,(H,15,17);3-6,11H,7-10H2,1-2H3;4-8H,1-3H3,(H,12,13)
InChIKeyYYBOQJUJSBMXAK-UHFFFAOYSA-N
XLogP11.16
TPSA178.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.75
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine with MolForge

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Related Compounds

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N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
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3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
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CID 8705256
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine (CID 162047393) is N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine is CC(C)c1ccc(C(=O)NCCN(C)C)cc1.CC(C)c1ccc(C(=O)OCCCN(C)C)cc1.CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CCN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is YYBOQJUJSBMXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.C15H23NO2.C14H22N2O.C13H19NO3S.C11H15NO/c1-4-16-9-11-17(12-10-16)20(18,19)15-7-5-14(6-8-15)13(2)3;1-12(2)13-6-8-14(9-7-13)15(17)18-11-5-10-16(3)4;1-11(2)12-5-7-13(8-6-12)14(17)15-9-10-16(3)4;1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14;1-8(2)9-4-6-10(7-5-9)11(13)12-3/h5-8,13H,4,9-12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,9-10H2,1-4H3,(H,15,17);3-6,11H,7-10H2,1-2H3;4-8H,1-3H3,(H,12,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine?
N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 1226.75 g/mol, XLogP of 11.16, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-propan-2-ylbenzamide;3-(dimethylamino)propyl 4-propan-2-ylbenzoate;1-ethyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;N-methyl-4-propan-2-ylbenzamide;4-(4-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 162047393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).