2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C23H20Cl2N2O3S — CID 4651931

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2
InChIInChI=1S/C23H20Cl2N2O3S/c24-14-8-10-17(11-9-14)30-13-20(28)27-23-21(18-6-1-2-7-19(18)31-23)22(29)26-16-5-3-4-15(25)12-16/h3-5,8-12H,1-2,6-7,13H2,(H,26,29)(H,27,28)
InChIKeyFJHLJDGNPHUXSQ-UHFFFAOYSA-N
MW475.40 g/mol
LogP6.20
Rot. Bonds6

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 4651931) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID4651931
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2
InChIInChI=1S/C23H20Cl2N2O3S/c24-14-8-10-17(11-9-14)30-13-20(28)27-23-21(18-6-1-2-7-19(18)31-23)22(29)26-16-5-3-4-15(25)12-16/h3-5,8-12H,1-2,6-7,13H2,(H,26,29)(H,27,28)
InChIKeyFJHLJDGNPHUXSQ-UHFFFAOYSA-N
XLogP6.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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
N-(2-ethoxyphenyl)-6-methyl-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2891650
2-{[2-(3-chlorophenoxy)propanoyl]amino}-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3396289
N-(2-ethoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3698937
N-(2-ethoxyphenyl)-2-{[(3-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4587148
Ethyl 2-{[2-(4-chloro-3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 15991120
2-benzamido-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1659807
2-{[(4-chlorophenoxy)acetyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1821611
N-(2-ethoxyphenyl)-2-[(phenoxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2267453
2-(2-Phenoxyacetamido)-N-phenyl-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 2298744
N-(5-chloro-2-methoxyphenyl)-2-{[(3-methylthiophen-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3364516
2-{[2-(4-chlorophenoxy)propanoyl]amino}-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3850246

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 4651931) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FJHLJDGNPHUXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c24-14-8-10-17(11-9-14)30-13-20(28)27-23-21(18-6-1-2-7-19(18)31-23)22(29)26-16-5-3-4-15(25)12-16/h3-5,8-12H,1-2,6-7,13H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 475.40 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 4651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).