3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide

C24H31N3O4S — CID 55854533

IUPAC3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O4S/c1-18-12-13-21(16-22(18)32(30,31)27-17-19-8-4-2-5-9-19)24(29)26-15-14-25-23(28)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,27H,3,6-7,10-11,14-15,17H2,1H3,(H,25,28)(H,26,29)
InChIKeyOFHNNDZSJWISNR-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.90
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide

3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide (PubChem CID 55854533) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide
PubChem CID55854533
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H31N3O4S/c1-18-12-13-21(16-22(18)32(30,31)27-17-19-8-4-2-5-9-19)24(29)26-15-14-25-23(28)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,27H,3,6-7,10-11,14-15,17H2,1H3,(H,25,28)(H,26,29)
InChIKeyOFHNNDZSJWISNR-UHFFFAOYSA-N
XLogP2.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide 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

N-(2-amino-1-cyclopropylethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 119615533
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-benzyl-2-methylbenzenesulfonamide
CID 8732788
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
3-(benzylsulfamoyl)-N-(cyclopropylmethyl)-4-methyl-N-propylbenzamide
CID 30948744
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093149
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide (CID 55854533) is 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide?
The InChIKey is OFHNNDZSJWISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-12-13-21(16-22(18)32(30,31)27-17-19-8-4-2-5-9-19)24(29)26-15-14-25-23(28)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,27H,3,6-7,10-11,14-15,17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide?
3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 55854533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).