N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide

C20H18N2OS — CID 112989553

IUPACN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H18N2OS/c1-14-13-15-5-2-3-6-18(15)22(14)17-10-8-16(9-11-17)21-20(23)19-7-4-12-24-19/h2-12,14H,13H2,1H3,(H,21,23)
InChIKeyGBCYHCGDCUUNLH-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.08
Rot. Bonds3

About N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide

N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 112989553) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID112989553
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H18N2OS/c1-14-13-15-5-2-3-6-18(15)22(14)17-10-8-16(9-11-17)21-20(23)19-7-4-12-24-19/h2-12,14H,13H2,1H3,(H,21,23)
InChIKeyGBCYHCGDCUUNLH-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
N-(4-fluorophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109244279
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
CID 112989581
N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
CID 54858187
N-[3-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 112773074
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
methyl 2-[4-(thiophene-2-carbonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 78824676

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide (CID 112989553) is N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide is CC1Cc2ccccc2N1c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is GBCYHCGDCUUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-13-15-5-2-3-6-18(15)22(14)17-10-8-16(9-11-17)21-20(23)19-7-4-12-24-19/h2-12,14H,13H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide?
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112989553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).