1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide

C24H30N4O5S — CID 55932978

IUPAC1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C24H30N4O5S/c1-16-7-8-19(15-17(16)2)34(32,33)26-12-9-22(29)27-21-6-4-3-5-20(21)24(31)28-13-10-18(11-14-28)23(25)30/h3-8,15,18,26H,9-14H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyNNZGKRRCJFDXQU-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.95
Rot. Bonds8

About 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide

1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 55932978) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
PubChem CID55932978
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C
InChIInChI=1S/C24H30N4O5S/c1-16-7-8-19(15-17(16)2)34(32,33)26-12-9-22(29)27-21-6-4-3-5-20(21)24(31)28-13-10-18(11-14-28)23(25)30/h3-8,15,18,26H,9-14H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyNNZGKRRCJFDXQU-UHFFFAOYSA-N
XLogP1.95
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide 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

1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
1-[2-[3-(2,4-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55642415
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
1-[2-[3-(2,3-dimethylphenoxy)propanoylamino]benzoyl]piperidine-4-carboxamide
CID 55934245
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 56516659
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide (CID 55932978) is 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1C.
What is the InChIKey of 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is NNZGKRRCJFDXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16-7-8-19(15-17(16)2)34(32,33)26-12-9-22(29)27-21-6-4-3-5-20(21)24(31)28-13-10-18(11-14-28)23(25)30/h3-8,15,18,26H,9-14H2,1-2H3,(H2,25,30)(H,27,29).
What are the key properties of 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide?
1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55932978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).