2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C26H30N2O5S — CID 100797664

IUPAC2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-33-24-14-16-25(17-15-24)34(30,31)28(19-21-8-6-5-7-9-21)20-26(29)27(2)18-22-10-12-23(32-3)13-11-22/h5-17H,4,18-20H2,1-3H3
InChIKeyFPXCBOJLZCMQBF-UHFFFAOYSA-N
MW482.60 g/mol
LogP3.94
Rot. Bonds11

About 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 100797664) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID100797664
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-33-24-14-16-25(17-15-24)34(30,31)28(19-21-8-6-5-7-9-21)20-26(29)27(2)18-22-10-12-23(32-3)13-11-22/h5-17H,4,18-20H2,1-3H3
InChIKeyFPXCBOJLZCMQBF-UHFFFAOYSA-N
XLogP3.94
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1102427
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 100797664) is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is FPXCBOJLZCMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-4-33-24-14-16-25(17-15-24)34(30,31)28(19-21-8-6-5-7-9-21)20-26(29)27(2)18-22-10-12-23(32-3)13-11-22/h5-17H,4,18-20H2,1-3H3.
What are the key properties of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 482.60 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100797664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).