N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide

C23H23FN2O3S2 — CID 30257196

IUPACN-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O3S2/c1-25(16-18-7-4-3-5-8-18)23(27)17-26(20-10-6-9-19(24)15-20)31(28,29)22-13-11-21(30-2)12-14-22/h3-15H,16-17H2,1-2H3
InChIKeyCBRONVPCHDFJFV-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.40
Rot. Bonds8

About N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide

N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 30257196) has the molecular formula C23H23FN2O3S2 and a molecular weight of 458.58 g/mol. Its IUPAC name is N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID30257196
Molecular FormulaC23H23FN2O3S2
Molecular Weight458.58 g/mol
Exact Mass458.11
IUPAC NameN-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O3S2/c1-25(16-18-7-4-3-5-8-18)23(27)17-26(20-10-6-9-19(24)15-20)31(28,29)22-13-11-21(30-2)12-14-22/h3-15H,16-17H2,1-2H3
InChIKeyCBRONVPCHDFJFV-UHFFFAOYSA-N
XLogP4.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
N-benzyl-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 1100135
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258861
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43900534
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide (CID 30257196) is N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide is CSc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(F)c2)cc1.
What is the InChIKey of N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is CBRONVPCHDFJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S2/c1-25(16-18-7-4-3-5-8-18)23(27)17-26(20-10-6-9-19(24)15-20)31(28,29)22-13-11-21(30-2)12-14-22/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide?
N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 458.58 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30257196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).