5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C19H16N2O4S — CID 45180406

IUPAC5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1
InChIInChI=1S/C19H16N2O4S/c20-18(23)17-8-7-16(26-17)12-5-3-9-21(12)19(24)15-10-13(22)11-4-1-2-6-14(11)25-15/h1-2,4,6-8,10,12H,3,5,9H2,(H2,20,23)
InChIKeyCWELAHUXTQKFKZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.93
Rot. Bonds3

About 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45180406) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45180406
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1
InChIInChI=1S/C19H16N2O4S/c20-18(23)17-8-7-16(26-17)12-5-3-9-21(12)19(24)15-10-13(22)11-4-1-2-6-14(11)25-15/h1-2,4,6-8,10,12H,3,5,9H2,(H2,20,23)
InChIKeyCWELAHUXTQKFKZ-UHFFFAOYSA-N
XLogP2.93
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
CID 119137743
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45205026
5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45241409
5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95120298
2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
CID 97098180
2-(2-propyl-1,3-thiazolidine-3-carbonyl)chromen-4-one
CID 71875375
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43095251
5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30956704

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45180406) is 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1.
What is the InChIKey of 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is CWELAHUXTQKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c20-18(23)17-8-7-16(26-17)12-5-3-9-21(12)19(24)15-10-13(22)11-4-1-2-6-14(11)25-15/h1-2,4,6-8,10,12H,3,5,9H2,(H2,20,23).
What are the key properties of 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45180406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).