2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C23H28N4O3S — CID 43813704

IUPAC2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN(C(=O)Nc2ccccc2)C2CCCC2)sc2c1CCCC2
InChIInChI=1S/C23H28N4O3S/c24-21(29)20-17-12-6-7-13-18(17)31-22(20)26-19(28)14-27(16-10-4-5-11-16)23(30)25-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyAHZOMGANTNHQMP-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.14
Rot. Bonds6

About 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 43813704) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID43813704
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)CN(C(=O)Nc2ccccc2)C2CCCC2)sc2c1CCCC2
InChIInChI=1S/C23H28N4O3S/c24-21(29)20-17-12-6-7-13-18(17)31-22(20)26-19(28)14-27(16-10-4-5-11-16)23(30)25-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyAHZOMGANTNHQMP-UHFFFAOYSA-N
XLogP4.14
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-[benzyl(methyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 8901444
2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 8977950
2-[(2-anilino-2-sulfanylideneacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4094523
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9167371
2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813707
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
CID 2411733
2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 903693
2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813708
2-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 713215
2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 732279
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9304295
2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 8798018

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 43813704) is 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)CN(C(=O)Nc2ccccc2)C2CCCC2)sc2c1CCCC2.
What is the InChIKey of 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is AHZOMGANTNHQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c24-21(29)20-17-12-6-7-13-18(17)31-22(20)26-19(28)14-27(16-10-4-5-11-16)23(30)25-15-8-2-1-3-9-15/h1-3,8-9,16H,4-7,10-14H2,(H2,24,29)(H,25,30)(H,26,28).
What are the key properties of 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl(phenylcarbamoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 43813704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).