N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

C24H26N2O4S — CID 27001178

IUPACN,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-25(31(28,29)23-15-13-22(30-2)14-16-23)19-24(27)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16H,17-19H2,1-2H3
InChIKeyYFIGFKZOGHNMBU-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.54
Rot. Bonds9

About N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 27001178) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID27001178
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-25(31(28,29)23-15-13-22(30-2)14-16-23)19-24(27)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16H,17-19H2,1-2H3
InChIKeyYFIGFKZOGHNMBU-UHFFFAOYSA-N
XLogP3.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594335
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 27001178) is N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YFIGFKZOGHNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-25(31(28,29)23-15-13-22(30-2)14-16-23)19-24(27)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16H,17-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 27001178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).