2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C18H21ClN2O3S — CID 2889239

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-13-9-10-16(11-17(13)19)21(25(3,23)24)12-18(22)20-14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeyNPVWTQTXGDKQGU-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 2889239) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID2889239
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-13-9-10-16(11-17(13)19)21(25(3,23)24)12-18(22)20-14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeyNPVWTQTXGDKQGU-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 2889239) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is Cc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is NPVWTQTXGDKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-9-10-16(11-17(13)19)21(25(3,23)24)12-18(22)20-14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2889239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).