2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide

C26H23FN2O3S — CID 100793153

IUPAC2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12
InChIInChI=1S/C26H23FN2O3S/c27-23-15-13-20(14-16-23)18-29(33(31,32)24-10-2-1-3-11-24)19-26(30)28-17-22-9-6-8-21-7-4-5-12-25(21)22/h1-16H,17-19H2,(H,28,30)
InChIKeyOSRCKHWQPJBDNJ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.49
Rot. Bonds8

About 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide

2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 100793153) has the molecular formula C26H23FN2O3S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID100793153
Molecular FormulaC26H23FN2O3S
Molecular Weight462.55 g/mol
Exact Mass462.14
IUPAC Name2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12
InChIInChI=1S/C26H23FN2O3S/c27-23-15-13-20(14-16-23)18-29(33(31,32)24-10-2-1-3-11-24)19-26(30)28-17-22-9-6-8-21-7-4-5-12-25(21)22/h1-16H,17-19H2,(H,28,30)
InChIKeyOSRCKHWQPJBDNJ-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792569
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793593
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792176
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100797309

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide (CID 100793153) is 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12.
What is the InChIKey of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is OSRCKHWQPJBDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3S/c27-23-15-13-20(14-16-23)18-29(33(31,32)24-10-2-1-3-11-24)19-26(30)28-17-22-9-6-8-21-7-4-5-12-25(21)22/h1-16H,17-19H2,(H,28,30).
What are the key properties of 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide?
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 100793153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).