5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide

C25H23ClFN3O4S — CID 143419910

IUPAC5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide
SMILESC=C(NC(=O)c1ccc(Cl)s1)[C@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1OC
InChIInChI=1S/C25H23ClFN3O4S/c1-14(28-25(33)21-8-9-22(26)35-21)17-11-15(12-20(17)34-2)24(32)29-19-7-6-16(13-18(19)27)30-10-4-3-5-23(30)31/h3-10,13,15,17,20H,1,11-12H2,2H3,(H,28,33)(H,29,32)/t15-,17+,20-/m0/s1
InChIKeyMHSYJTCQOHMTLS-VPWXQRGCSA-N
MW515.99 g/mol
LogP4.61
Rot. Bonds7

About 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide

5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide (PubChem CID 143419910) has the molecular formula C25H23ClFN3O4S and a molecular weight of 515.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide
PubChem CID143419910
Molecular FormulaC25H23ClFN3O4S
Molecular Weight515.99 g/mol
Exact Mass515.11
IUPAC Name5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide
SMILESC=C(NC(=O)c1ccc(Cl)s1)[C@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1OC
InChIInChI=1S/C25H23ClFN3O4S/c1-14(28-25(33)21-8-9-22(26)35-21)17-11-15(12-20(17)34-2)24(32)29-19-7-6-16(13-18(19)27)30-10-4-3-5-23(30)31/h3-10,13,15,17,20H,1,11-12H2,2H3,(H,28,33)(H,29,32)/t15-,17+,20-/m0/s1
InChIKeyMHSYJTCQOHMTLS-VPWXQRGCSA-N
XLogP4.61
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.99
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide (CID 143419910) is 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide is C=C(NC(=O)c1ccc(Cl)s1)[C@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1OC.
What is the InChIKey of 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide?
The InChIKey is MHSYJTCQOHMTLS-VPWXQRGCSA-N. The full InChI is InChI=1S/C25H23ClFN3O4S/c1-14(28-25(33)21-8-9-22(26)35-21)17-11-15(12-20(17)34-2)24(32)29-19-7-6-16(13-18(19)27)30-10-4-3-5-23(30)31/h3-10,13,15,17,20H,1,11-12H2,2H3,(H,28,33)(H,29,32)/t15-,17+,20-/m0/s1.
What are the key properties of 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide?
5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide has a molecular weight of 515.99 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide is sourced from PubChem (CID 143419910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).