2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide

C31H36N4O5S — CID 171623783

IUPAC2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC(Nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3C(N)=O)C2)cc1
InChIInChI=1S/C31H36N4O5S/c1-20(36)21-9-14-26(15-10-21)41(39,40)35-17-5-6-25(19-35)33-28-18-24(13-16-27(28)29(32)37)34-30(38)22-7-11-23(12-8-22)31(2,3)4/h7-16,18,25,33H,5-6,17,19H2,1-4H3,(H2,32,37)(H,34,38)
InChIKeyOLJRTCCFPNIPSN-UHFFFAOYSA-N
MW576.72 g/mol
LogP4.80
Rot. Bonds8

About 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide

2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide (PubChem CID 171623783) has the molecular formula C31H36N4O5S and a molecular weight of 576.72 g/mol. Its IUPAC name is 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide
PubChem CID171623783
Molecular FormulaC31H36N4O5S
Molecular Weight576.72 g/mol
Exact Mass576.24
IUPAC Name2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC(Nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3C(N)=O)C2)cc1
InChIInChI=1S/C31H36N4O5S/c1-20(36)21-9-14-26(15-10-21)41(39,40)35-17-5-6-25(19-35)33-28-18-24(13-16-27(28)29(32)37)34-30(38)22-7-11-23(12-8-22)31(2,3)4/h7-16,18,25,33H,5-6,17,19H2,1-4H3,(H2,32,37)(H,34,38)
InChIKeyOLJRTCCFPNIPSN-UHFFFAOYSA-N
XLogP4.80
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.72
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide with MolForge

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Related Compounds

3-[5-[(4-tert-butylbenzoyl)amino]-2-carbamoylanilino]-N-(4-iodophenyl)piperidine-1-carboxamide
CID 171623705
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate
CID 171623747
(3S)-1-(benzenesulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 100660090
(3R)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100674657
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
methyl 2-[[1-(1-adamantylcarbamoyl)piperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzoate
CID 171623769
1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
N-(1,3-benzothiazol-6-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16831300
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide?
The IUPAC name of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide (CID 171623783) is 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide?
The canonical SMILES for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide is CC(=O)c1ccc(S(=O)(=O)N2CCCC(Nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3C(N)=O)C2)cc1.
What is the InChIKey of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide?
The InChIKey is OLJRTCCFPNIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O5S/c1-20(36)21-9-14-26(15-10-21)41(39,40)35-17-5-6-25(19-35)33-28-18-24(13-16-27(28)29(32)37)34-30(38)22-7-11-23(12-8-22)31(2,3)4/h7-16,18,25,33H,5-6,17,19H2,1-4H3,(H2,32,37)(H,34,38).
What are the key properties of 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide?
2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide has a molecular weight of 576.72 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide is sourced from PubChem (CID 171623783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).