N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C18H21N3O4S — CID 1316301

IUPACN-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-5-4-6-17(11-13)21(26(3,24)25)12-18(23)20-16-9-7-15(8-10-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyNCYWNULFRBGNCL-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.36
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 1316301) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID1316301
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-5-4-6-17(11-13)21(26(3,24)25)12-18(23)20-16-9-7-15(8-10-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyNCYWNULFRBGNCL-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 1316301) is N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is NCYWNULFRBGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-5-4-6-17(11-13)21(26(3,24)25)12-18(23)20-16-9-7-15(8-10-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1316301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).