5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide

C26H27ClFN3O4S — CID 143419889

About 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide

5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 143419889) has the molecular formula C26H27ClFN3O4S and a molecular weight of 532.04 g/mol. Its IUPAC name is 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide
• PubChem CID: 143419889
• Molecular Formula: C26H27ClFN3O4S
• Molecular Weight: 532.04 g/mol
• Exact Mass: 531.14
• IUPAC Name: 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide
• SMILES: NC(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccccc2=O)cc1F)C1CC[C@@H](OCC2CC2)C1
• InChI: InChI=1S/C21H23FN2O3.C5H4ClNOS/c22-18-12-16(24-10-2-1-3-20(24)25)7-9-19(18)23-21(26)15-6-8-17(11-15)27-13-14-4-5-14;6-4-2-1-3(9-4)5(7)8/h1-3,7,9-10,12,14-15,17H,4-6,8,11,13H2,(H,23,26);1-2H,(H2,7,8)/t15?,17-;/m1./s1
• InChIKey: FINQSGVKLWNZPV-PKESZJFOSA-N
• XLogP: 5.01
• TPSA: 103.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.04
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide?

The IUPAC name of 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide (CID 143419889) is 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide?

The canonical SMILES for 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide is NC(=O)c1ccc(Cl)s1.O=C(Nc1ccc(-n2ccccc2=O)cc1F)C1CC[C@@H](OCC2CC2)C1.

What is the InChIKey of 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide?

The InChIKey is FINQSGVKLWNZPV-PKESZJFOSA-N. The full InChI is InChI=1S/C21H23FN2O3.C5H4ClNOS/c22-18-12-16(24-10-2-1-3-20(24)25)7-9-19(18)23-21(26)15-6-8-17(11-15)27-13-14-4-5-14;6-4-2-1-3(9-4)5(7)8/h1-3,7,9-10,12,14-15,17H,4-6,8,11,13H2,(H,23,26);1-2H,(H2,7,8)/t15?,17-;/m1./s1.

What are the key properties of 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide?

5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 532.04 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 143419889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).