3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid

C20H16ClN3O5S — CID 10003667

IUPAC3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
SMILESO=C(NC(CNC(=O)c1ccc(Cl)s1)C(=O)O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C20H16ClN3O5S/c21-16-9-8-15(30-16)19(27)22-11-14(20(28)29)23-18(26)12-4-6-13(7-5-12)24-10-2-1-3-17(24)25/h1-10,14H,11H2,(H,22,27)(H,23,26)(H,28,29)
InChIKeyXRHUTXZGCUEQOA-UHFFFAOYSA-N
MW445.88 g/mol
LogP2.17
Rot. Bonds7

About 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid

3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid (PubChem CID 10003667) has the molecular formula C20H16ClN3O5S and a molecular weight of 445.88 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
PubChem CID10003667
Molecular FormulaC20H16ClN3O5S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
SMILESO=C(NC(CNC(=O)c1ccc(Cl)s1)C(=O)O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C20H16ClN3O5S/c21-16-9-8-15(30-16)19(27)22-11-14(20(28)29)23-18(26)12-4-6-13(7-5-12)24-10-2-1-3-17(24)25/h1-10,14H,11H2,(H,22,27)(H,23,26)(H,28,29)
InChIKeyXRHUTXZGCUEQOA-UHFFFAOYSA-N
XLogP2.17
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid with MolForge

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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
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 10002757
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
CID 143722963
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
5-chloro-N-[[1-[3-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 59260077
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid (CID 10003667) is 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid is O=C(NC(CNC(=O)c1ccc(Cl)s1)C(=O)O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid?
The InChIKey is XRHUTXZGCUEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S/c21-16-9-8-15(30-16)19(27)22-11-14(20(28)29)23-18(26)12-4-6-13(7-5-12)24-10-2-1-3-17(24)25/h1-10,14H,11H2,(H,22,27)(H,23,26)(H,28,29).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid?
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid has a molecular weight of 445.88 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 10003667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).