2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

C16H18N4O2S — CID 17439573

IUPAC2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C16H18N4O2S/c1-17-15(22)19-14(21)10-23-16-18-9-13(20(16)12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyUZNABIWZXFBNBM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds5

About 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 17439573) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID17439573
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C16H18N4O2S/c1-17-15(22)19-14(21)10-23-16-18-9-13(20(16)12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,19,21,22)
InChIKeyUZNABIWZXFBNBM-UHFFFAOYSA-N
XLogP2.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17439146
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17437882
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18149503
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18149523
methyl 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]benzoate
CID 18267471
2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 4665228
N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
(2S)-N-(cyclopropylcarbamoyl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 42450236
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7649164
1-[3-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 18275943
(5S)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 95271782

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 17439573) is 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is UZNABIWZXFBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-17-15(22)19-14(21)10-23-16-18-9-13(20(16)12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H2,17,19,21,22).
What are the key properties of 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 17439573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).