N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C18H21NO2S — CID 111102637

IUPACN-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NCC(O)Cc2ccccc2)s1
InChIInChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-10-16(15)18(21)19-11-14(20)9-13-5-3-2-4-6-13/h2-8,14-16,20H,9-11H2,1H3,(H,19,21)
InChIKeyAIRNVFJCERQCJA-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.88
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 111102637) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID111102637
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NCC(O)Cc2ccccc2)s1
InChIInChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-10-16(15)18(21)19-11-14(20)9-13-5-3-2-4-6-13/h2-8,14-16,20H,9-11H2,1H3,(H,19,21)
InChIKeyAIRNVFJCERQCJA-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)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

N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95159086
trans-(1R,2R)-N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124740368
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
cis-(1R,2S)-2-(5-methylthiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95273551
cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95271434
N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110921880
cis-(1S,2R)-N-[[(2R,5S)-4-benzoyl-1,4-diazabicyclo[3.2.1]octan-2-yl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 98886346
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110004375
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-(3,4-dimethylphenyl)-N-(2-hydroxy-3-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 56765286

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 111102637) is N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc(C2CC2C(=O)NCC(O)Cc2ccccc2)s1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is AIRNVFJCERQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-10-16(15)18(21)19-11-14(20)9-13-5-3-2-4-6-13/h2-8,14-16,20H,9-11H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111102637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).