N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C20H19N3OS — CID 42944870

IUPACN-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(NC1CC1)C(Sc1nccn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c24-19(22-16-11-12-16)18(15-7-3-1-4-8-15)25-20-21-13-14-23(20)17-9-5-2-6-10-17/h1-10,13-14,16,18H,11-12H2,(H,22,24)
InChIKeyNHKKVQNSQDNEKO-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.98
Rot. Bonds6

About N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 42944870) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID42944870
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(NC1CC1)C(Sc1nccn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c24-19(22-16-11-12-16)18(15-7-3-1-4-8-15)25-20-21-13-14-23(20)17-9-5-2-6-10-17/h1-10,13-14,16,18H,11-12H2,(H,22,24)
InChIKeyNHKKVQNSQDNEKO-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40790131
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 16601843
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
N-cyclopropyl-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 16589309
(2R)-N-cyclopropyl-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 27697174
(2R)-N-cyclopropyl-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 40657345
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 40670039
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919
(2R)-N-cyclopropyl-2-phenyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 92536705

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 42944870) is N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide is O=C(NC1CC1)C(Sc1nccn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NHKKVQNSQDNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(22-16-11-12-16)18(15-7-3-1-4-8-15)25-20-21-13-14-23(20)17-9-5-2-6-10-17/h1-10,13-14,16,18H,11-12H2,(H,22,24).
What are the key properties of N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42944870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).