2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide

C17H14ClN3O2S — CID 90847543

IUPAC2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)sc(C2(C(N)=O)C=CC=N2)c1C(N)=O
InChIInChI=1S/C17H14ClN3O2S/c1-9-12(15(19)22)14(17(16(20)23)7-2-8-21-17)24-13(9)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,22)(H2,20,23)
InChIKeyWEWAUPRNEBWGKL-UHFFFAOYSA-N
MW359.84 g/mol
LogP2.80
Rot. Bonds4

About 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide

2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide (PubChem CID 90847543) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide
PubChem CID90847543
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)sc(C2(C(N)=O)C=CC=N2)c1C(N)=O
InChIInChI=1S/C17H14ClN3O2S/c1-9-12(15(19)22)14(17(16(20)23)7-2-8-21-17)24-13(9)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,22)(H2,20,23)
InChIKeyWEWAUPRNEBWGKL-UHFFFAOYSA-N
XLogP2.80
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-methyl-4-propylthiophene-3-carboxamide
CID 143029603
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799334
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
ethyl 2-amino-4,5-bis(4-chlorophenyl)thiophene-3-carboxylate
CID 141288217
4-(4-chlorophenyl)-2-methyl-1-propan-2-yl-5-propylpyrrole-3-carboxamide
CID 3832600
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
4-(4-chlorophenyl)-5-methyl-1,3-dithiol-2-one
CID 117060094
methyl 3-[4-carbamoyl-3-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrol-2-yl]propanoate
CID 3675838
4-(4-chlorophenyl)-2-ethylsulfanyl-6-hydroxy-3-methylbenzamide
CID 24949671
[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylphenyl)methanone
CID 134787718

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide (CID 90847543) is 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide is Cc1c(-c2ccc(Cl)cc2)sc(C2(C(N)=O)C=CC=N2)c1C(N)=O.
What is the InChIKey of 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide?
The InChIKey is WEWAUPRNEBWGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-9-12(15(19)22)14(17(16(20)23)7-2-8-21-17)24-13(9)10-3-5-11(18)6-4-10/h2-8H,1H3,(H2,19,22)(H2,20,23).
What are the key properties of 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide?
2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbamoyl-5-(4-chlorophenyl)-4-methylthiophen-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 90847543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).