N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C18H21ClN2O3S — CID 113150897

IUPACN-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-9-10-16(19)11-17(13)20-18(22)12-21(25(3,23)24)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeySYYSFGAGNJUGNF-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.61
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150897) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150897
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-9-10-16(19)11-17(13)20-18(22)12-21(25(3,23)24)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeySYYSFGAGNJUGNF-UHFFFAOYSA-N
XLogP3.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8791816
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
N-(5-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133228030
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30265111
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840518
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150897) is N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is SYYSFGAGNJUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-9-10-16(19)11-17(13)20-18(22)12-21(25(3,23)24)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).