2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide

C15H22N2O2S — CID 131918278

IUPAC2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(NC(=O)CSC)c1C
InChIInChI=1S/C15H22N2O2S/c1-5-10(2)15(19)17-13-8-6-7-12(11(13)3)16-14(18)9-20-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyLKLSHOPBZDGFFY-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.28
Rot. Bonds6

About 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide

2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide (PubChem CID 131918278) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide
PubChem CID131918278
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(NC(=O)CSC)c1C
InChIInChI=1S/C15H22N2O2S/c1-5-10(2)15(19)17-13-8-6-7-12(11(13)3)16-14(18)9-20-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyLKLSHOPBZDGFFY-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-formamido-2-methylphenyl)-2-methylbutanamide
CID 168650874
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
methyl N-[(2S)-4-methyl-1-[2-methyl-3-(propanoylamino)anilino]-1-oxopentan-2-yl]carbamate
CID 94797775
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
2-[[(2R)-2-methylbutanoyl]amino]benzoate
CID 6978566
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide (CID 131918278) is 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide is CCC(C)C(=O)Nc1cccc(NC(=O)CSC)c1C.
What is the InChIKey of 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide?
The InChIKey is LKLSHOPBZDGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-10(2)15(19)17-13-8-6-7-12(11(13)3)16-14(18)9-20-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide?
2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide has a molecular weight of 294.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-[(2-methylsulfanylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 131918278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).