N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

C19H24N2O4S — CID 3504330

IUPACN-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1C
InChIInChI=1S/C19H24N2O4S/c1-15-12-17(10-11-18(15)25-4)26(23,24)21(3)14-19(22)20(2)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3
InChIKeyQEFZBHZLWZWPLP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.28
Rot. Bonds7

About N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 3504330) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID3504330
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1C
InChIInChI=1S/C19H24N2O4S/c1-15-12-17(10-11-18(15)25-4)26(23,24)21(3)14-19(22)20(2)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3
InChIKeyQEFZBHZLWZWPLP-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 33172341
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100798501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 3504330) is N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2)cc1C.
What is the InChIKey of N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is QEFZBHZLWZWPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-12-17(10-11-18(15)25-4)26(23,24)21(3)14-19(22)20(2)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3.
What are the key properties of N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 3504330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).