N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide

C19H23N3O3S3 — CID 1179914

IUPACN-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O3S3/c1-22(15-6-3-2-4-7-15)28(24,25)16-11-9-14(10-12-16)20-19(26)21-18(23)17-8-5-13-27-17/h5,8-13,15H,2-4,6-7H2,1H3,(H2,20,21,23,26)
InChIKeyOLIWNRXGLPCXCF-UHFFFAOYSA-N
MW437.61 g/mol
LogP3.83
Rot. Bonds5

About N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 1179914) has the molecular formula C19H23N3O3S3 and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID1179914
Molecular FormulaC19H23N3O3S3
Molecular Weight437.61 g/mol
Exact Mass437.09
IUPAC NameN-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O3S3/c1-22(15-6-3-2-4-7-15)28(24,25)16-11-9-14(10-12-16)20-19(26)21-18(23)17-8-5-13-27-17/h5,8-13,15H,2-4,6-7H2,1H3,(H2,20,21,23,26)
InChIKeyOLIWNRXGLPCXCF-UHFFFAOYSA-N
XLogP3.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-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

N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
1-Phenyl-3-(thiophene-2-carbonyl)-thiourea
CID 817333
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 817337
N-[(4-sulfamoylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 1828675
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 892549
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(4-Fluorophenyl)-4-(piperidine-1-sulfonyl)thiophene-2-carboxamide
CID 1252955
N-{[4-(piperidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
CID 716779
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 730596
N-[[3-(butanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 880809

Frequently Asked Questions

What is the IUPAC name of N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide (CID 1179914) is N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is OLIWNRXGLPCXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S3/c1-22(15-6-3-2-4-7-15)28(24,25)16-11-9-14(10-12-16)20-19(26)21-18(23)17-8-5-13-27-17/h5,8-13,15H,2-4,6-7H2,1H3,(H2,20,21,23,26).
What are the key properties of N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 1179914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).