5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide

C21H20ClN3O3S — CID 10002757

IUPAC5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-13(2)19(24-20(27)16-10-11-17(22)29-16)21(28)23-14-6-8-15(9-7-14)25-12-4-3-5-18(25)26/h3-13,19H,1-2H3,(H,23,28)(H,24,27)/t19-/m1/s1
InChIKeyDKLNFHPMUBBQCO-LJQANCHMSA-N
MW429.93 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide

5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 10002757) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
PubChem CID10002757
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-13(2)19(24-20(27)16-10-11-17(22)29-16)21(28)23-14-6-8-15(9-7-14)25-12-4-3-5-18(25)26/h3-13,19H,1-2H3,(H,23,28)(H,24,27)/t19-/m1/s1
InChIKeyDKLNFHPMUBBQCO-LJQANCHMSA-N
XLogP3.95
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 10433624
(3R,4S)-1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
CID 18453015
N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
CID 143722963
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(cyanomethyl)-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 87677680
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
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-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide (CID 10002757) is 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide is CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide?
The InChIKey is DKLNFHPMUBBQCO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-13(2)19(24-20(27)16-10-11-17(22)29-16)21(28)23-14-6-8-15(9-7-14)25-12-4-3-5-18(25)26/h3-13,19H,1-2H3,(H,23,28)(H,24,27)/t19-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10002757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).