N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide

C14H21NO2S — CID 111695495

IUPACN-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)CCC(C)O
InChIInChI=1S/C14H21NO2S/c1-11-6-4-5-7-13(11)18-10-14(17)15(3)9-8-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyPYDNRNSQIUJLJD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.32
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide

N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 111695495) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
PubChem CID111695495
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)CCC(C)O
InChIInChI=1S/C14H21NO2S/c1-11-6-4-5-7-13(11)18-10-14(17)15(3)9-8-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChIKeyPYDNRNSQIUJLJD-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119582322
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
3-[ethyl-[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 62822098
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide (CID 111695495) is N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is PYDNRNSQIUJLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-6-4-5-7-13(11)18-10-14(17)15(3)9-8-12(2)16/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 111695495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).