2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C31H43N3O5S — CID 46108517

IUPAC2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H43N3O5S/c1-3-20-33(40(37,38)29-12-8-5-9-13-29)24-30(35)34(23-25-14-16-28(39-2)17-15-25)27-18-21-32(22-19-27)31(36)26-10-6-4-7-11-26/h5,8-9,12-17,26-27H,3-4,6-7,10-11,18-24H2,1-2H3
InChIKeyVHDLWRXZYYUTSJ-UHFFFAOYSA-N
MW569.77 g/mol
LogP4.70
Rot. Bonds11

About 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 46108517) has the molecular formula C31H43N3O5S and a molecular weight of 569.77 g/mol. Its IUPAC name is 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID46108517
Molecular FormulaC31H43N3O5S
Molecular Weight569.77 g/mol
Exact Mass569.29
IUPAC Name2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C31H43N3O5S/c1-3-20-33(40(37,38)29-12-8-5-9-13-29)24-30(35)34(23-25-14-16-28(39-2)17-15-25)27-18-21-32(22-19-27)31(36)26-10-6-4-7-11-26/h5,8-9,12-17,26-27H,3-4,6-7,10-11,18-24H2,1-2H3
InChIKeyVHDLWRXZYYUTSJ-UHFFFAOYSA-N
XLogP4.70
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.77
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-phenylpiperidine-1-carboxamide
CID 42880652
2-[benzenesulfonyl(propyl)amino]-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108535
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 42880651
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 46108750
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 46108714
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108058
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-benzylamino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46108884
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 42880683
2-[cyclohexylmethyl(ethylsulfonyl)amino]-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108008
N-(1-benzoylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 46107971
N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 46108517) is 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is VHDLWRXZYYUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O5S/c1-3-20-33(40(37,38)29-12-8-5-9-13-29)24-30(35)34(23-25-14-16-28(39-2)17-15-25)27-18-21-32(22-19-27)31(36)26-10-6-4-7-11-26/h5,8-9,12-17,26-27H,3-4,6-7,10-11,18-24H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 569.77 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46108517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).