2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide

C19H24N2O3S — CID 126031297

IUPAC2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-9-11-17(12-10-14)25(23,24)21(13-19(22)20(4)5)18-8-6-7-15(2)16(18)3/h6-12H,13H2,1-5H3
InChIKeyNNPAXROCMNDUGK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.90
Rot. Bonds5

About 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide

2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide (PubChem CID 126031297) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
PubChem CID126031297
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-9-11-17(12-10-14)25(23,24)21(13-19(22)20(4)5)18-8-6-7-15(2)16(18)3/h6-12H,13H2,1-5H3
InChIKeyNNPAXROCMNDUGK-UHFFFAOYSA-N
XLogP2.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 51345438
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126118965
ethyl 2-(2,3-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517214
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132683060
N-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126386482
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100681729

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide (CID 126031297) is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is NNPAXROCMNDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-9-11-17(12-10-14)25(23,24)21(13-19(22)20(4)5)18-8-6-7-15(2)16(18)3/h6-12H,13H2,1-5H3.
What are the key properties of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide?
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 126031297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).