methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate

C20H23N3O6S2 — CID 43947365

IUPACmethyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C20H23N3O6S2/c1-23(14-5-3-4-6-14)31(27,28)15-9-7-13(8-10-15)17(24)21-19-16(11-12-30-19)18(25)22-20(26)29-2/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyFKBUYCCLNMZZBO-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.06
Rot. Bonds6

About methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 43947365) has the molecular formula C20H23N3O6S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
PubChem CID43947365
Molecular FormulaC20H23N3O6S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC Namemethyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C20H23N3O6S2/c1-23(14-5-3-4-6-14)31(27,28)15-9-7-13(8-10-15)17(24)21-19-16(11-12-30-19)18(25)22-20(26)29-2/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyFKBUYCCLNMZZBO-UHFFFAOYSA-N
XLogP3.06
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate 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-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclohexyl(methyl)sulfamoyl]-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908392
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
methyl 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3623737

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate (CID 43947365) is methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate?
The InChIKey is FKBUYCCLNMZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S2/c1-23(14-5-3-4-6-14)31(27,28)15-9-7-13(8-10-15)17(24)21-19-16(11-12-30-19)18(25)22-20(26)29-2/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,22,25,26).
What are the key properties of methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 43947365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).