3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid

C17H16ClN3O4S — CID 119174361

IUPAC3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cccs1
InChIInChI=1S/C17H16ClN3O4S/c18-12-4-3-10(21-6-5-19-17(21)25)8-11(12)16(24)20-13(9-15(22)23)14-2-1-7-26-14/h1-4,7-8,13H,5-6,9H2,(H,19,25)(H,20,24)(H,22,23)
InChIKeyUUICLOMTJDKWNN-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.88
Rot. Bonds6

About 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid

3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid (PubChem CID 119174361) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid
PubChem CID119174361
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cccs1
InChIInChI=1S/C17H16ClN3O4S/c18-12-4-3-10(21-6-5-19-17(21)25)8-11(12)16(24)20-13(9-15(22)23)14-2-1-7-26-14/h1-4,7-8,13H,5-6,9H2,(H,19,25)(H,20,24)(H,22,23)
InChIKeyUUICLOMTJDKWNN-UHFFFAOYSA-N
XLogP2.88
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid with MolForge

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Related Compounds

(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119372405
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 119217782
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106993309
3-[(4-bromo-3-chlorobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 81295751
3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106703085
2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119440919

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid (CID 119174361) is 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)c1cc(N2CCNC2=O)ccc1Cl)c1cccs1.
What is the InChIKey of 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid?
The InChIKey is UUICLOMTJDKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-12-4-3-10(21-6-5-19-17(21)25)8-11(12)16(24)20-13(9-15(22)23)14-2-1-7-26-14/h1-4,7-8,13H,5-6,9H2,(H,19,25)(H,20,24)(H,22,23).
What are the key properties of 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid?
3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid has a molecular weight of 393.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 119174361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).