(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide

C17H21ClN4O3S — CID 8562562

IUPAC(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O3S/c1-3-8-19-16(25)11(2)21-14(23)10-26-17-20-9-15(24)22(17)13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,25)(H,21,23)/t11-/m1/s1
InChIKeyGBQBAQVOPPWHBF-LLVKDONJSA-N
MW396.90 g/mol
LogP1.81
Rot. Bonds7

About (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide

(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide (PubChem CID 8562562) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
PubChem CID8562562
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O3S/c1-3-8-19-16(25)11(2)21-14(23)10-26-17-20-9-15(24)22(17)13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,25)(H,21,23)/t11-/m1/s1
InChIKeyGBQBAQVOPPWHBF-LLVKDONJSA-N
XLogP1.81
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide with MolForge

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Related Compounds

2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-pentylacetamide
CID 8562604
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CID 8562642
(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 8941248
2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
CID 8733244
(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8562439
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
CID 8733653
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
(2S)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-N-propylpropanamide
CID 9227813
(2R)-2-[[2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
CID 25329493
4-[[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]sulfanylmethyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide (CID 8562562) is (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide?
The InChIKey is GBQBAQVOPPWHBF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-3-8-19-16(25)11(2)21-14(23)10-26-17-20-9-15(24)22(17)13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,25)(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide?
(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide has a molecular weight of 396.90 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8562562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).