5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

C24H22ClNO2S — CID 58328185

IUPAC5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H22ClNO2S/c1-14-3-6-18(21(27)12-16-4-5-16)13-20(14)26-24(28)23-15(2)11-22(29-23)17-7-9-19(25)10-8-17/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,26,28)
InChIKeyQFUZNJAWQUKQJM-UHFFFAOYSA-N
MW423.97 g/mol
LogP6.92
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 58328185) has the molecular formula C24H22ClNO2S and a molecular weight of 423.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID58328185
Molecular FormulaC24H22ClNO2S
Molecular Weight423.97 g/mol
Exact Mass423.11
IUPAC Name5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H22ClNO2S/c1-14-3-6-18(21(27)12-16-4-5-16)13-20(14)26-24(28)23-15(2)11-22(29-23)17-7-9-19(25)10-8-17/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,26,28)
InChIKeyQFUZNJAWQUKQJM-UHFFFAOYSA-N
XLogP6.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.97
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 58328257
5-(2-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-4-phenylthiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide;N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 158285588
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]thiophene-2-carboxamide
CID 58328209
2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
CID 58328231
4-methyl-3-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83144754
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
2-chloro-N-[5-(4-chlorophenyl)-2-[2-(dimethylamino)acetyl]thiophen-3-yl]acetamide
CID 170895609
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638
N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide
CID 5303194
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (CID 58328185) is 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is QFUZNJAWQUKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO2S/c1-14-3-6-18(21(27)12-16-4-5-16)13-20(14)26-24(28)23-15(2)11-22(29-23)17-7-9-19(25)10-8-17/h3,6-11,13,16H,4-5,12H2,1-2H3,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 423.97 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 58328185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).