2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide

C14H15N3OS — CID 17449965

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-13(16-11-4-2-1-3-5-11)10-19-14-15-8-9-17(14)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,16,18)
InChIKeyVPLXXCXCZNRYHJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.95
Rot. Bonds5

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 17449965) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
PubChem CID17449965
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccccc1
InChIInChI=1S/C14H15N3OS/c18-13(16-11-4-2-1-3-5-11)10-19-14-15-8-9-17(14)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,16,18)
InChIKeyVPLXXCXCZNRYHJ-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
dimethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
CID 51308558
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 27548780
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide (CID 17449965) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide is O=C(CSc1nccn1C1CC1)Nc1ccccc1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is VPLXXCXCZNRYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(16-11-4-2-1-3-5-11)10-19-14-15-8-9-17(14)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,16,18).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 273.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 17449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).