2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide

C27H25FN2O3S — CID 100792569

IUPAC2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2F)cc1
InChIInChI=1S/C27H25FN2O3S/c1-20-13-15-24(16-14-20)34(32,33)30(18-23-8-3-5-12-26(23)28)19-27(31)29-17-22-10-6-9-21-7-2-4-11-25(21)22/h2-16H,17-19H2,1H3,(H,29,31)
InChIKeyKSMVJOUEURFYJJ-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.79
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 100792569) has the molecular formula C27H25FN2O3S and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID100792569
Molecular FormulaC27H25FN2O3S
Molecular Weight476.57 g/mol
Exact Mass476.16
IUPAC Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2F)cc1
InChIInChI=1S/C27H25FN2O3S/c1-20-13-15-24(16-14-20)34(32,33)30(18-23-8-3-5-12-26(23)28)19-27(31)29-17-22-10-6-9-21-7-2-4-11-25(21)22/h2-16H,17-19H2,1H3,(H,29,31)
InChIKeyKSMVJOUEURFYJJ-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126071780
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 4005841
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 126013064
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792176
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793153
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
N-(3,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126064523
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793593
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792928

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide (CID 100792569) is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc23)Cc2ccccc2F)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is KSMVJOUEURFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3S/c1-20-13-15-24(16-14-20)34(32,33)30(18-23-8-3-5-12-26(23)28)19-27(31)29-17-22-10-6-9-21-7-2-4-11-25(21)22/h2-16H,17-19H2,1H3,(H,29,31).
What are the key properties of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide?
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 476.57 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 100792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).