2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C15H20BrNO2S — CID 114751104

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO2S/c1-11-8-12(16)2-3-13(11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyZZVVTNLPDAQMMH-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751104) has the molecular formula C15H20BrNO2S and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751104
Molecular FormulaC15H20BrNO2S
Molecular Weight358.30 g/mol
Exact Mass357.04
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO2S/c1-11-8-12(16)2-3-13(11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyZZVVTNLPDAQMMH-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetate
CID 47257649
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618268
2-(2,5-dimethylphenyl)sulfanyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80708396
3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66172149
5-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62031936
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751614
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
[2-(methylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 8705420
2-(4-bromo-2-methylphenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 9204782

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751104) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is Cc1cc(Br)ccc1SCC(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is ZZVVTNLPDAQMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2S/c1-11-8-12(16)2-3-13(11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 358.30 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).