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

C23H21ClFN3O4S — CID 58826442

IUPAC5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@H]1O)c1ccc(Cl)s1
InChIInChI=1S/C23H21ClFN3O4S/c24-20-7-6-19(33-20)23(32)26-12-14-9-13(10-18(14)29)22(31)27-17-5-4-15(11-16(17)25)28-8-2-1-3-21(28)30/h1-8,11,13-14,18,29H,9-10,12H2,(H,26,32)(H,27,31)/t13-,14-,18+/m0/s1
InChIKeyCYWWGOMWIFWZTL-SUNYJGFJSA-N
MW489.96 g/mol
LogP3.45
Rot. Bonds6

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

5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide (PubChem CID 58826442) has the molecular formula C23H21ClFN3O4S and a molecular weight of 489.96 g/mol. Its IUPAC name is 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
PubChem CID58826442
Molecular FormulaC23H21ClFN3O4S
Molecular Weight489.96 g/mol
Exact Mass489.09
IUPAC Name5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@H]1O)c1ccc(Cl)s1
InChIInChI=1S/C23H21ClFN3O4S/c24-20-7-6-19(33-20)23(32)26-12-14-9-13(10-18(14)29)22(31)27-17-5-4-15(11-16(17)25)28-8-2-1-3-21(28)30/h1-8,11,13-14,18,29H,9-10,12H2,(H,26,32)(H,27,31)/t13-,14-,18+/m0/s1
InChIKeyCYWWGOMWIFWZTL-SUNYJGFJSA-N
XLogP3.45
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 58826438
(3S)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 58748279
(4R)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-(methylamino)pyrrolidine-1-carboxamide;formic acid
CID 11979129
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
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
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methyl-2,3-dihydroindole-1-carboxamide
CID 16679201
5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide
CID 143419889
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
5-chloro-N-[(3S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42643176
5-chloro-N-[(3R,4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748347
5-chloro-N-[(3S)-4-(dimethylamino)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748231
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
CID 141171022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide (CID 58826442) is 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@H]1O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide?
The InChIKey is CYWWGOMWIFWZTL-SUNYJGFJSA-N. The full InChI is InChI=1S/C23H21ClFN3O4S/c24-20-7-6-19(33-20)23(32)26-12-14-9-13(10-18(14)29)22(31)27-17-5-4-15(11-16(17)25)28-8-2-1-3-21(28)30/h1-8,11,13-14,18,29H,9-10,12H2,(H,26,32)(H,27,31)/t13-,14-,18+/m0/s1.
What are the key properties of 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58826442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).