2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide

C18H21ClN2O3S — CID 2231151

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(25(2,23)24)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXPCXGJWGYOPOKA-CQSZACIVSA-N
MW380.90 g/mol
LogP2.98
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 2231151) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID2231151
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(25(2,23)24)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyXPCXGJWGYOPOKA-CQSZACIVSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28547324
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547319
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
CID 113147480
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 42699557

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide (CID 2231151) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is XPCXGJWGYOPOKA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(25(2,23)24)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 380.90 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 2231151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).