2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H23N3O3S — CID 1051845

IUPAC2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C24H23N3O3S/c25-21(29)19-17-13-7-8-14-18(17)31-24(19)27-22(20(28)15-9-3-1-4-10-15)26-23(30)16-11-5-2-6-12-16/h1-6,9-12,22,27H,7-8,13-14H2,(H2,25,29)(H,26,30)/t22-/m1/s1
InChIKeyAYXKYOGNILIAPP-JOCHJYFZSA-N
MW433.53 g/mol
LogP3.78
Rot. Bonds7

About 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1051845) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1051845
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C24H23N3O3S/c25-21(29)19-17-13-7-8-14-18(17)31-24(19)27-22(20(28)15-9-3-1-4-10-15)26-23(30)16-11-5-2-6-12-16/h1-6,9-12,22,27H,7-8,13-14H2,(H2,25,29)(H,26,30)/t22-/m1/s1
InChIKeyAYXKYOGNILIAPP-JOCHJYFZSA-N
XLogP3.78
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 7024999
methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3852585
2-[(2,6-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 3106356
2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4511414
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1325782
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoxaline-2-carboxamide
CID 17490319
methyl 2-[[(1R)-1-benzamido-2,2,2-trichloroethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1098571

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1051845) is 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)sc2c1CCCC2.
What is the InChIKey of 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is AYXKYOGNILIAPP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O3S/c25-21(29)19-17-13-7-8-14-18(17)31-24(19)27-22(20(28)15-9-3-1-4-10-15)26-23(30)16-11-5-2-6-12-16/h1-6,9-12,22,27H,7-8,13-14H2,(H2,25,29)(H,26,30)/t22-/m1/s1.
What are the key properties of 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1051845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).