N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C17H19N3O2S — CID 119553932

IUPACN-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCNC1
InChIInChI=1S/C17H19N3O2S/c1-20(14-7-8-18-11-14)17(22)12-4-2-5-13(10-12)19-16(21)15-6-3-9-23-15/h2-6,9-10,14,18H,7-8,11H2,1H3,(H,19,21)
InChIKeyBFHVIJCWRNTKGZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.43
Rot. Bonds4

About N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 119553932) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID119553932
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCNC1
InChIInChI=1S/C17H19N3O2S/c1-20(14-7-8-18-11-14)17(22)12-4-2-5-13(10-12)19-16(21)15-6-3-9-23-15/h2-6,9-10,14,18H,7-8,11H2,1H3,(H,19,21)
InChIKeyBFHVIJCWRNTKGZ-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
5-bromo-N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119550751
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119554477
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 119553932) is N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCNC1.
What is the InChIKey of N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is BFHVIJCWRNTKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-20(14-7-8-18-11-14)17(22)12-4-2-5-13(10-12)19-16(21)15-6-3-9-23-15/h2-6,9-10,14,18H,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119553932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).