N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C22H21ClN2O3S2 — CID 4301424

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3S2/c1-14-10-11-16(24-22(26)20-12-15-6-2-5-9-19(15)29-20)13-21(14)30(27,28)25-18-8-4-3-7-17(18)23/h3-4,7-8,10-13,25H,2,5-6,9H2,1H3,(H,24,26)
InChIKeyGTOTYNGNWAPMAA-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.64
Rot. Bonds5

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 4301424) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID4301424
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3S2/c1-14-10-11-16(24-22(26)20-12-15-6-2-5-9-19(15)29-20)13-21(14)30(27,28)25-18-8-4-3-7-17(18)23/h3-4,7-8,10-13,25H,2,5-6,9H2,1H3,(H,24,26)
InChIKeyGTOTYNGNWAPMAA-UHFFFAOYSA-N
XLogP5.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-Chloro-N-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 606829
2-{[(5-chloro-2-thienyl)sulfonyl]amino}-N-phenylbenzamide
CID 2200848
N-({5-[(2-chloroanilino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823685
N-(2-benzylphenyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzamide
CID 3677740
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 3926622
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4028035
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 4282422
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 4573908
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 4601351
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4648331
5-chloro-N-[3-oxo-3-[4-(2-sulfamoylphenyl)anilino]propyl]thiophene-2-carboxamide
CID 44393190
4-[(4-chlorophenyl)sulfonylamino]-N-thiophen-2-ylbenzamide
CID 44450759

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 4301424) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is GTOTYNGNWAPMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c1-14-10-11-16(24-22(26)20-12-15-6-2-5-9-19(15)29-20)13-21(14)30(27,28)25-18-8-4-3-7-17(18)23/h3-4,7-8,10-13,25H,2,5-6,9H2,1H3,(H,24,26).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 461.01 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4301424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).