N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide

C23H24N2O4S — CID 141361158

IUPACN-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-18(26)24-21-12-8-19(9-13-21)16-25(17-20-10-14-22(29-2)15-11-20)30(27,28)23-6-4-3-5-7-23/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyGXBQZGPCCDFTRS-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.04
Rot. Bonds8

About N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide

N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide (PubChem CID 141361158) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
PubChem CID141361158
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-18(26)24-21-12-8-19(9-13-21)16-25(17-20-10-14-22(29-2)15-11-20)30(27,28)23-6-4-3-5-7-23/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyGXBQZGPCCDFTRS-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
1-[4-(dibenzylsulfamoyl)phenyl]-3-[(4-methoxybenzoyl)amino]thiourea
CID 23661275
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
[4-[[(4-acetamidophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3427654
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351

Frequently Asked Questions

What is the IUPAC name of N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide (CID 141361158) is N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide is COc1ccc(CN(Cc2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
The InChIKey is GXBQZGPCCDFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-18(26)24-21-12-8-19(9-13-21)16-25(17-20-10-14-22(29-2)15-11-20)30(27,28)23-6-4-3-5-7-23/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide?
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 141361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).