N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide

C24H27N3O3S2 — CID 26232184

IUPACN-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C24H27N3O3S2/c1-17-11-12-22(31-17)16-25-21-13-18(24(28)26-19-7-5-6-8-19)14-23(15-21)32(29,30)27-20-9-3-2-4-10-20/h2-4,9-15,19,25,27H,5-8,16H2,1H3,(H,26,28)
InChIKeyLFTSBRUGYAHWDJ-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.14
Rot. Bonds8

About N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide

N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide (PubChem CID 26232184) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
PubChem CID26232184
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC NameN-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C24H27N3O3S2/c1-17-11-12-22(31-17)16-25-21-13-18(24(28)26-19-7-5-6-8-19)14-23(15-21)32(29,30)27-20-9-3-2-4-10-20/h2-4,9-15,19,25,27H,5-8,16H2,1H3,(H,26,28)
InChIKeyLFTSBRUGYAHWDJ-UHFFFAOYSA-N
XLogP5.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide 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-cyclopentyl-3-(furan-3-ylmethylamino)-5-(phenylsulfamoyl)benzamide
CID 26136527
N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
CID 26144178
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 167755284
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
methyl 2-[[3-(2-hydroxyethylamino)-5-(phenylsulfamoyl)benzoyl]amino]acetate
CID 26225543

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The IUPAC name of N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide (CID 26232184) is N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide is Cc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)s1.
What is the InChIKey of N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The InChIKey is LFTSBRUGYAHWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-17-11-12-22(31-17)16-25-21-13-18(24(28)26-19-7-5-6-8-19)14-23(15-21)32(29,30)27-20-9-3-2-4-10-20/h2-4,9-15,19,25,27H,5-8,16H2,1H3,(H,26,28).
What are the key properties of N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide has a molecular weight of 469.63 g/mol, XLogP of 5.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 26232184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).