2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide

C15H16ClNOS — CID 143029603

IUPAC2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
SMILESCCCc1c(C)sc(-c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C15H16ClNOS/c1-3-4-12-9(2)19-14(13(12)15(17)18)10-5-7-11(16)8-6-10/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyRAYCEIFPOLJIFL-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide

2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide (PubChem CID 143029603) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
PubChem CID143029603
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
SMILESCCCc1c(C)sc(-c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C15H16ClNOS/c1-3-4-12-9(2)19-14(13(12)15(17)18)10-5-7-11(16)8-6-10/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyRAYCEIFPOLJIFL-UHFFFAOYSA-N
XLogP4.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
CID 3832600
3-amino-5-(4-chlorophenyl)-4-propylthiophene-2-carbonitrile
CID 79412475
ethyl 2-amino-4,5-bis(4-chlorophenyl)thiophene-3-carboxylate
CID 141288217
ethyl 4-(4-chlorophenyl)-5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503357
[2-(4-chlorophenyl)-5-methyl-4-(trifluoromethyl)thiophen-3-yl]methanol
CID 90418125
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
2-[4-(4-chlorophenyl)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55774775
2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide
CID 90847543
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
ethyl 2-carbamoyl-7-(4-chlorophenyl)heptanoate
CID 23047741
4-(4-chlorophenyl)-5-methyl-1,3-dithiol-2-one
CID 117060094

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide (CID 143029603) is 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide is CCCc1c(C)sc(-c2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide?
The InChIKey is RAYCEIFPOLJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-3-4-12-9(2)19-14(13(12)15(17)18)10-5-7-11(16)8-6-10/h5-8H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide?
2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide has a molecular weight of 293.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide is sourced from PubChem (CID 143029603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).