N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide

C17H20N2O3S — CID 112996585

IUPACN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-5-4-6-16(9-12)23(21,22)18-11-17(20)19-15-8-7-13(2)14(3)10-15/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyTWTSKCZPQFHETM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.53
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide

N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112996585) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
PubChem CID112996585
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20N2O3S/c1-12-5-4-6-16(9-12)23(21,22)18-11-17(20)19-15-8-7-13(2)14(3)10-15/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyTWTSKCZPQFHETM-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(3-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999985
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 112996149
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
methyl 3-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999907
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112996402
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide (CID 112996585) is N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide is Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is TWTSKCZPQFHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-5-4-6-16(9-12)23(21,22)18-11-17(20)19-15-8-7-13(2)14(3)10-15/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112996585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).