N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C19H18N2O3S2 — CID 30093964

IUPACN-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C19H18N2O3S2/c1-12-11-16(20-18(22)14-6-3-9-24-14)26-17(12)19(23)21-8-2-5-13(21)15-7-4-10-25-15/h3-4,6-7,9-11,13H,2,5,8H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyJEIGIGJXYQPZCP-ZDUSSCGKSA-N
MW386.50 g/mol
LogP4.94
Rot. Bonds4

About N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 30093964) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID30093964
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C19H18N2O3S2/c1-12-11-16(20-18(22)14-6-3-9-24-14)26-17(12)19(23)21-8-2-5-13(21)15-7-4-10-25-15/h3-4,6-7,9-11,13H,2,5,8H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyJEIGIGJXYQPZCP-ZDUSSCGKSA-N
XLogP4.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119650096
N-[4-methyl-5-[(7S)-5-oxo-7-phenyl-1,4-diazepane-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 95140544
2-chloro-N-[5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 86960916
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34942302
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 42940713
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 30093964) is N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1cccs1.
What is the InChIKey of N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is JEIGIGJXYQPZCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-11-16(20-18(22)14-6-3-9-24-14)26-17(12)19(23)21-8-2-5-13(21)15-7-4-10-25-15/h3-4,6-7,9-11,13H,2,5,8H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 30093964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).