2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide

C18H24ClN3O2S — CID 8562642

IUPAC2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-12(2)8-9-13(3)21-16(23)11-25-18-20-10-17(24)22(18)15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyATHQSVDCAKXLMW-CYBMUJFWSA-N
MW381.93 g/mol
LogP3.72
Rot. Bonds7

About 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide

2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide (PubChem CID 8562642) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
PubChem CID8562642
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-12(2)8-9-13(3)21-16(23)11-25-18-20-10-17(24)22(18)15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyATHQSVDCAKXLMW-CYBMUJFWSA-N
XLogP3.72
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-2-[[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]amino]-N-propylpropanamide
CID 8562562
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CID 8562604
(2R)-N-(2-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanamide
CID 8941150
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 8941248
(2S)-2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8941350
6-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304825
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CID 2696305
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-[(4-benzyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40814476
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide (CID 8562642) is 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide is CC(C)CC[C@@H](C)NC(=O)CSC1=NCC(=O)N1c1ccccc1Cl.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
The InChIKey is ATHQSVDCAKXLMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-12(2)8-9-13(3)21-16(23)11-25-18-20-10-17(24)22(18)15-7-5-4-6-14(15)19/h4-7,12-13H,8-11H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide?
2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide has a molecular weight of 381.93 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]-N-[(2R)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 8562642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).