N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

C14H14BrN3OS — CID 47137410

IUPACN-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3OS/c15-10-1-3-11(4-2-10)17-13(19)9-20-14-16-7-8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,17,19)
InChIKeyMLPBJSAWNNFFSR-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.71
Rot. Bonds5

About N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (PubChem CID 47137410) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
PubChem CID47137410
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3OS/c15-10-1-3-11(4-2-10)17-13(19)9-20-14-16-7-8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,17,19)
InChIKeyMLPBJSAWNNFFSR-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
dimethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
CID 51308558
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46688550
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17464984
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 38667290
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (CID 47137410) is N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1C1CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The InChIKey is MLPBJSAWNNFFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-10-1-3-11(4-2-10)17-13(19)9-20-14-16-7-8-18(14)12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide has a molecular weight of 352.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 47137410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).