N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C17H25NO2S — CID 103801488

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C17H25NO2S/c1-12-6-4-7-14(10-12)17(8-5-9-17)16(20)18-13(2)15(11-19)21-3/h4,6-7,10,13,15,19H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyQMXIPLDEGMKHJL-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.65
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 103801488) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID103801488
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C17H25NO2S/c1-12-6-4-7-14(10-12)17(8-5-9-17)16(20)18-13(2)15(11-19)21-3/h4,6-7,10,13,15,19H,5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyQMXIPLDEGMKHJL-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-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-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
CID 71915004
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
N-[(1S,2R)-1-(3-fluorophenyl)-1-hydroxypropan-2-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 97072133
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methylphenyl)urea
CID 113240160
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 103801488) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is CSC(CO)C(C)NC(=O)C1(c2cccc(C)c2)CCC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is QMXIPLDEGMKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-6-4-7-14(10-12)17(8-5-9-17)16(20)18-13(2)15(11-19)21-3/h4,6-7,10,13,15,19H,5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103801488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).