N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C18H21N3O4S — CID 27055361

IUPACN-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13-7-9-17(10-8-13)26(24,25)21(3)12-18(23)20-16-6-4-5-15(11-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRNXREBDLWZLJHX-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.21
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 27055361) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID27055361
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13-7-9-17(10-8-13)26(24,25)21(3)12-18(23)20-16-6-4-5-15(11-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyRNXREBDLWZLJHX-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
N-(3-acetamidophenyl)-2-[[3-(difluoromethyl)-5-methylphenyl]sulfonyl-methylamino]acetamide
CID 169492861
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
N-(9H-fluoren-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24658365
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 27055361) is N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RNXREBDLWZLJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-7-9-17(10-8-13)26(24,25)21(3)12-18(23)20-16-6-4-5-15(11-16)19-14(2)22/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 27055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).