N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide

C14H22N2OS — CID 103087677

IUPACN-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCSCCCCNc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2OS/c1-11-6-7-13(10-14(11)16-12(2)17)15-8-4-5-9-18-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyKLMVANXXUUPUDR-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.51
Rot. Bonds7

About N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide

N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide (PubChem CID 103087677) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
PubChem CID103087677
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCSCCCCNc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2OS/c1-11-6-7-13(10-14(11)16-12(2)17)15-8-4-5-9-18-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyKLMVANXXUUPUDR-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]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

N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
2-methyl-5-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 103087246
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
2-chloro-N-methyl-5-(4-methylsulfanylbutylamino)benzamide
CID 103087825
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079
2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087575
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide (CID 103087677) is N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide is CSCCCCNc1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide?
The InChIKey is KLMVANXXUUPUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-7-13(10-14(11)16-12(2)17)15-8-4-5-9-18-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide?
N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide is sourced from PubChem (CID 103087677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).