N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C18H15N3OS — CID 24624352

IUPACN-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-8-3-4-9-21)16(12)17(22)20-15-7-5-6-14(10-15)11-19/h3-10H,1-2H3,(H,20,22)
InChIKeyGQHYQYLLPHGCKF-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.28
Rot. Bonds3

About N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24624352) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID24624352
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-8-3-4-9-21)16(12)17(22)20-15-7-5-6-14(10-15)11-19/h3-10H,1-2H3,(H,20,22)
InChIKeyGQHYQYLLPHGCKF-UHFFFAOYSA-N
XLogP4.28
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110864766
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507447
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24624352) is N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is Cc1sc(-n2cccc2)c(C(=O)Nc2cccc(C#N)c2)c1C.
What is the InChIKey of N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is GQHYQYLLPHGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-13(2)23-18(21-8-3-4-9-21)16(12)17(22)20-15-7-5-6-14(10-15)11-19/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24624352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).