1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide

C15H20BrNO2S — CID 103767285

IUPAC1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCCCO)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2S/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)17-8-11-20-10-1-9-18/h2-5,18H,1,6-11H2,(H,17,19)
InChIKeyWVMANPUAGPUTHS-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.71
Rot. Bonds8

About 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 103767285) has the molecular formula C15H20BrNO2S and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
PubChem CID103767285
Molecular FormulaC15H20BrNO2S
Molecular Weight358.30 g/mol
Exact Mass357.04
IUPAC Name1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCCCO)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2S/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)17-8-11-20-10-1-9-18/h2-5,18H,1,6-11H2,(H,17,19)
InChIKeyWVMANPUAGPUTHS-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide 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

1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173367
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 103280163
3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 111147506
1-(4-bromophenyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 33281737
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(3-hydroxypropyl)urea
CID 110902756

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide (CID 103767285) is 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide is O=C(NCCSCCCO)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is WVMANPUAGPUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2S/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)17-8-11-20-10-1-9-18/h2-5,18H,1,6-11H2,(H,17,19).
What are the key properties of 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 358.30 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).