1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide

C22H19ClN2O2S — CID 60580165

IUPAC1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(c3ccc(Cl)cc3)c3ccsc3)ccc21
InChIInChI=1S/C22H19ClN2O2S/c1-14(26)25-10-8-16-12-17(4-7-20(16)25)22(27)24-21(18-9-11-28-13-18)15-2-5-19(23)6-3-15/h2-7,9,11-13,21H,8,10H2,1H3,(H,24,27)
InChIKeyZCAYUZGYINWVBO-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.83
Rot. Bonds4

About 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 60580165) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID60580165
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(c3ccc(Cl)cc3)c3ccsc3)ccc21
InChIInChI=1S/C22H19ClN2O2S/c1-14(26)25-10-8-16-12-17(4-7-20(16)25)22(27)24-21(18-9-11-28-13-18)15-2-5-19(23)6-3-15/h2-7,9,11-13,21H,8,10H2,1H3,(H,24,27)
InChIKeyZCAYUZGYINWVBO-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 32633489
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
1-acetyl-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 86796507
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
CID 60580164
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 55577789

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide (CID 60580165) is 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC(c3ccc(Cl)cc3)c3ccsc3)ccc21.
What is the InChIKey of 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZCAYUZGYINWVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-14(26)25-10-8-16-12-17(4-7-20(16)25)22(27)24-21(18-9-11-28-13-18)15-2-5-19(23)6-3-15/h2-7,9,11-13,21H,8,10H2,1H3,(H,24,27).
What are the key properties of 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 60580165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).