N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide

C14H21ClN2O3S — CID 56793619

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(9-12-5-7-13(15)8-6-12)17(3)14(18)10-16(2)21(4,19)20/h5-8,11H,9-10H2,1-4H3
InChIKeyWRBFUEXTJSLROR-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.62
Rot. Bonds6

About N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide

N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 56793619) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID56793619
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC(Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(9-12-5-7-13(15)8-6-12)17(3)14(18)10-16(2)21(4,19)20/h5-8,11H,9-10H2,1-4H3
InChIKeyWRBFUEXTJSLROR-UHFFFAOYSA-N
XLogP1.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
CID 99793411
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133214480
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide
CID 56793685
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214492
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237530
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
CID 56793654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide (CID 56793619) is N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is CC(Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is WRBFUEXTJSLROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(9-12-5-7-13(15)8-6-12)17(3)14(18)10-16(2)21(4,19)20/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide?
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 332.85 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 56793619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).