N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

C14H22N2O3S — CID 113147743

IUPACN-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10(2)16(20(5,18)19)9-14(17)15-13-7-6-11(3)12(4)8-13/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeyPFANXUAKGMCVPC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.91
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 113147743) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID113147743
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10(2)16(20(5,18)19)9-14(17)15-13-7-6-11(3)12(4)8-13/h6-8,10H,9H2,1-5H3,(H,15,17)
InChIKeyPFANXUAKGMCVPC-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
CID 113148772
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 113147743) is N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is Cc1ccc(NC(=O)CN(C(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is PFANXUAKGMCVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)16(20(5,18)19)9-14(17)15-13-7-6-11(3)12(4)8-13/h6-8,10H,9H2,1-5H3,(H,15,17).
What are the key properties of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 113147743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).