3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide

C24H19ClN2O3S — CID 18376848

IUPAC3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-15-8-10-16(30-2)11-9-15)27-24(29)22-21(25)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyKSRYPECOBMELJB-UHFFFAOYSA-N
MW450.95 g/mol
LogP6.38
Rot. Bonds5

About 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide (PubChem CID 18376848) has the molecular formula C24H19ClN2O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
PubChem CID18376848
Molecular FormulaC24H19ClN2O3S
Molecular Weight450.95 g/mol
Exact Mass450.08
IUPAC Name3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-15-8-10-16(30-2)11-9-15)27-24(29)22-21(25)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(H,26,28)(H,27,29)
InChIKeyKSRYPECOBMELJB-UHFFFAOYSA-N
XLogP6.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-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-methoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1047277
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-hydroxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376730
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 18376782
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18376970
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl]-1-benzothiophene-2-carboxamide
CID 18377031
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 678908
N-(4-methoxyphenyl)[2-(2-thienylcarbonylamino)(4,5,6,7-tetrahydrobenzo[b]thiop hen-3-yl)]carboxamide
CID 1350745
3,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 24980380
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1093489
(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2796536
2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 722858
N-(4-Methoxyphenyl)-2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1369921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide (CID 18376848) is 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KSRYPECOBMELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3S/c1-14-7-12-19(18(13-14)23(28)26-15-8-10-16(30-2)11-9-15)27-24(29)22-21(25)17-5-3-4-6-20(17)31-22/h3-13H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).