2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide

C29H30N2O4S — CID 100797309

IUPAC2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2)cc1C
InChIInChI=1S/C29H30N2O4S/c1-3-35-28-17-16-26(18-22(28)2)36(33,34)31(20-23-10-5-4-6-11-23)21-29(32)30-19-25-14-9-13-24-12-7-8-15-27(24)25/h4-18H,3,19-21H2,1-2H3,(H,30,32)
InChIKeyCPOJQOSEKJYADN-UHFFFAOYSA-N
MW502.64 g/mol
LogP5.05
Rot. Bonds10

About 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide

2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 100797309) has the molecular formula C29H30N2O4S and a molecular weight of 502.64 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID100797309
Molecular FormulaC29H30N2O4S
Molecular Weight502.64 g/mol
Exact Mass502.19
IUPAC Name2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2)cc1C
InChIInChI=1S/C29H30N2O4S/c1-3-35-28-17-16-26(18-22(28)2)36(33,34)31(20-23-10-5-4-6-11-23)21-29(32)30-19-25-14-9-13-24-12-7-8-15-27(24)25/h4-18H,3,19-21H2,1-2H3,(H,30,32)
InChIKeyCPOJQOSEKJYADN-UHFFFAOYSA-N
XLogP5.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100799193
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401552
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872602
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792176
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872604
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793593
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100797360
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100791189
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2-chlorophenyl)methyl]acetamide
CID 45373880

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide (CID 100797309) is 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is CPOJQOSEKJYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4S/c1-3-35-28-17-16-26(18-22(28)2)36(33,34)31(20-23-10-5-4-6-11-23)21-29(32)30-19-25-14-9-13-24-12-7-8-15-27(24)25/h4-18H,3,19-21H2,1-2H3,(H,30,32).
What are the key properties of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 502.64 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 100797309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).