2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide

C18H21ClN2O3S — CID 3700532

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-16(19)8-9-17(14)21(25(2,23)24)13-18(22)20-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyBQJYFDOXKOUOAJ-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 3700532) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
PubChem CID3700532
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-14-12-16(19)8-9-17(14)21(25(2,23)24)13-18(22)20-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyBQJYFDOXKOUOAJ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzylsulfanylpropyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 30222620
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2281691
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30222610
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126034408
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
N-(2-benzylsulfanylethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342885
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 3154152
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide (CID 3700532) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is BQJYFDOXKOUOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-12-16(19)8-9-17(14)21(25(2,23)24)13-18(22)20-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3700532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).