N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

C21H19NOS — CID 18276754

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H19NOS/c1-14-5-7-16(8-6-14)19-11-12-24-20(19)21(23)22-18-10-9-15-3-2-4-17(15)13-18/h5-13H,2-4H2,1H3,(H,22,23)
InChIKeyPQEAACZORRWVET-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.46
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 18276754) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID18276754
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H19NOS/c1-14-5-7-16(8-6-14)19-11-12-24-20(19)21(23)22-18-10-9-15-3-2-4-17(15)13-18/h5-13H,2-4H2,1H3,(H,22,23)
InChIKeyPQEAACZORRWVET-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7669337
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 60557245
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 134016368
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47143281
3-(4-methylphenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24600385
1-(3-fluoro-4-methylphenyl)-3-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]thiourea
CID 8560745

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide (CID 18276754) is N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PQEAACZORRWVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-14-5-7-16(8-6-14)19-11-12-24-20(19)21(23)22-18-10-9-15-3-2-4-17(15)13-18/h5-13H,2-4H2,1H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).