4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide

C25H28ClN3O4S — CID 118035168

IUPAC4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESCN(c1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H28ClN3O4S/c1-29(34(32,33)21-7-3-5-19(26)11-21)20-6-2-4-16(10-20)23(30)28-22-17-8-15-9-18(22)14-25(12-15,13-17)24(27)31/h2-7,10-11,15,17-18,22H,8-9,12-14H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHPVUFXUDCNNSFV-UHFFFAOYSA-N
MW502.04 g/mol
LogP3.58
Rot. Bonds6

About 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118035168) has the molecular formula C25H28ClN3O4S and a molecular weight of 502.04 g/mol. Its IUPAC name is 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118035168
Molecular FormulaC25H28ClN3O4S
Molecular Weight502.04 g/mol
Exact Mass501.15
IUPAC Name4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESCN(c1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H28ClN3O4S/c1-29(34(32,33)21-7-3-5-19(26)11-21)20-6-2-4-16(10-20)23(30)28-22-17-8-15-9-18(22)14-25(12-15,13-17)24(27)31/h2-7,10-11,15,17-18,22H,8-9,12-14H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHPVUFXUDCNNSFV-UHFFFAOYSA-N
XLogP3.58
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.04
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-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

4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
4-[[1-[(2,6-dichlorophenyl)sulfonyl-methylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 71543143
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 16559774
4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260382
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
4-[[2-[(3-bromophenyl)sulfonyl-cyclopropylamino]acetyl]amino]adamantane-1-carboxamide
CID 71542303
4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260375
methyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-3-methylbutanoate
CID 55343956
4-[[2-[(3-chloro-4-fluorophenyl)sulfonyl-cyclopropylamino]acetyl]amino]adamantane-1-carboxamide
CID 71541927
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118035168) is 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide is CN(c1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is HPVUFXUDCNNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4S/c1-29(34(32,33)21-7-3-5-19(26)11-21)20-6-2-4-16(10-20)23(30)28-22-17-8-15-9-18(22)14-25(12-15,13-17)24(27)31/h2-7,10-11,15,17-18,22H,8-9,12-14H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 502.04 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118035168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).