2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C14H20N2O3S — CID 113147868

IUPAC2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-12(6-4-11)9-15-14(17)10-16(13-7-8-13)20(2,18)19/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyPFPZNMJUHLWVQX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.04
Rot. Bonds6

About 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113147868) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113147868
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-12(6-4-11)9-15-14(17)10-16(13-7-8-13)20(2,18)19/h3-6,13H,7-10H2,1-2H3,(H,15,17)
InChIKeyPFPZNMJUHLWVQX-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 113147868) is 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(C2CC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PFPZNMJUHLWVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-3-5-12(6-4-11)9-15-14(17)10-16(13-7-8-13)20(2,18)19/h3-6,13H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113147868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).