2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

C15H19N3OS — CID 47095379

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-12(2)18(13-7-5-4-6-8-13)14(19)11-20-15-16-9-10-17(15)3/h4-10,12H,11H2,1-3H3
InChIKeyJITKYAVAZFUHLL-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.95
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 47095379) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID47095379
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-12(2)18(13-7-5-4-6-8-13)14(19)11-20-15-16-9-10-17(15)3/h4-10,12H,11H2,1-3H3
InChIKeyJITKYAVAZFUHLL-UHFFFAOYSA-N
XLogP2.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 23987303
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
CID 27312364
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7273369
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 41425115
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 47095379) is 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1nccn1C)c1ccccc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is JITKYAVAZFUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12(2)18(13-7-5-4-6-8-13)14(19)11-20-15-16-9-10-17(15)3/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 47095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).