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

C17H19ClN2O3S — CID 998645

IUPACN-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-10-15(18)8-9-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyFWSJEEHXORSKTH-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.73
Rot. Bonds6

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

N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 998645) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID998645
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-10-15(18)8-9-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyFWSJEEHXORSKTH-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide (CID 998645) is N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is FWSJEEHXORSKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-10-15(18)8-9-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 998645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).