5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide

C20H20ClFN4O4S — CID 143317026

IUPAC5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C20H20ClFN4O4S/c21-17-4-3-16(31-17)19(28)23-12-5-6-25(10-12)11-18(27)24-15-2-1-13(9-14(15)22)26-7-8-30-20(26)29/h1-4,9,12H,5-8,10-11H2,(H,23,28)(H,24,27)
InChIKeyTZARAIWPEBTJEC-UHFFFAOYSA-N
MW466.92 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide

5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 143317026) has the molecular formula C20H20ClFN4O4S and a molecular weight of 466.92 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID143317026
Molecular FormulaC20H20ClFN4O4S
Molecular Weight466.92 g/mol
Exact Mass466.09
IUPAC Name5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C20H20ClFN4O4S/c21-17-4-3-16(31-17)19(28)23-12-5-6-25(10-12)11-18(27)24-15-2-1-13(9-14(15)22)26-7-8-30-20(26)29/h1-4,9,12H,5-8,10-11H2,(H,23,28)(H,24,27)
InChIKeyTZARAIWPEBTJEC-UHFFFAOYSA-N
XLogP2.94
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
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,4S)-4-[2-(cyclopropylamino)-2-oxoethoxy]-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748292
5-chloro-N-[(2S)-2-(cyclopropylamino)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 91088097
5-chloro-N-[(3R)-1-[1-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-1-oxopropan-2-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748343
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
5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
5-chloro-N-[[1-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]thiophene-2-carboxamide
CID 123350505
ethyl (3S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 42643276
5-chloro-N-[(2S)-2-(cyclobutylcarbamoylamino)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 91056082
5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 59698858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide (CID 143317026) is 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(CN1CCC(NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(N2CCOC2=O)cc1F.
What is the InChIKey of 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is TZARAIWPEBTJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4S/c21-17-4-3-16(31-17)19(28)23-12-5-6-25(10-12)11-18(27)24-15-2-1-13(9-14(15)22)26-7-8-30-20(26)29/h1-4,9,12H,5-8,10-11H2,(H,23,28)(H,24,27).
What are the key properties of 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide?
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 466.92 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143317026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).