N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

C29H34ClN3O4S2 — CID 46108102

IUPACN-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H34ClN3O4S2/c1-3-15-32(39(36,37)26-11-9-22(2)10-12-26)21-28(34)33(20-23-6-4-7-24(30)19-23)25-13-16-31(17-14-25)29(35)27-8-5-18-38-27/h4-12,18-19,25H,3,13-17,20-21H2,1-2H3
InChIKeyOPTGWJCMAFXROV-UHFFFAOYSA-N
MW588.20 g/mol
LogP5.44
Rot. Bonds10

About N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46108102) has the molecular formula C29H34ClN3O4S2 and a molecular weight of 588.20 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46108102
Molecular FormulaC29H34ClN3O4S2
Molecular Weight588.20 g/mol
Exact Mass587.17
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H34ClN3O4S2/c1-3-15-32(39(36,37)26-11-9-22(2)10-12-26)21-28(34)33(20-23-6-4-7-24(30)19-23)25-13-16-31(17-14-25)29(35)27-8-5-18-38-27/h4-12,18-19,25H,3,13-17,20-21H2,1-2H3
InChIKeyOPTGWJCMAFXROV-UHFFFAOYSA-N
XLogP5.44
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzenesulfonyl(propyl)amino]-N-[(3-fluorophenyl)methyl]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 46108379
N-(1-benzoylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 46107971
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-benzylamino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46108884
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 46108714
2-[benzenesulfonyl(propyl)amino]-N-(1-butanoylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 46108362
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-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
CID 42880683
N-tert-butyl-4-[(3-chlorophenyl)methyl-[2-[2-methoxyethyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108906
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46108060
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-octanoylpiperidin-4-yl)acetamide
CID 46108795
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 4212169

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (CID 46108102) is N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is CCCN(CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is OPTGWJCMAFXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN3O4S2/c1-3-15-32(39(36,37)26-11-9-22(2)10-12-26)21-28(34)33(20-23-6-4-7-24(30)19-23)25-13-16-31(17-14-25)29(35)27-8-5-18-38-27/h4-12,18-19,25H,3,13-17,20-21H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 588.20 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46108102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).