N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide

C18H13Cl2N3O3S — CID 55641429

IUPACN-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O3S/c19-12-7-9(5-6-10(12)17(21)25)23-14(24)8-22-18(26)16-15(20)11-3-1-2-4-13(11)27-16/h1-7H,8H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyHRJMHUWEXGSDGS-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide

N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 55641429) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID55641429
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC NameN-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O3S/c19-12-7-9(5-6-10(12)17(21)25)23-14(24)8-22-18(26)16-15(20)11-3-1-2-4-13(11)27-16/h1-7H,8H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyHRJMHUWEXGSDGS-UHFFFAOYSA-N
XLogP3.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-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

ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate
CID 9228140
3-chloro-N-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 17478422
3-chloro-N-[2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 4535802
[2-(3-bromoanilino)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 40778492
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 46426974
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071
3-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9215516
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9472674
3-chloro-N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 29304330

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide (CID 55641429) is N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide is NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1Cl.
What is the InChIKey of N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is HRJMHUWEXGSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-12-7-9(5-6-10(12)17(21)25)23-14(24)8-22-18(26)16-15(20)11-3-1-2-4-13(11)27-16/h1-7H,8H2,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide?
N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoyl-3-chloroanilino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55641429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).