2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide

C30H29FN2O4S — CID 43897642

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C30H29FN2O4S/c1-22-7-6-10-29(23(22)2)33(38(35,36)28-8-4-3-5-9-28)20-30(34)32-19-24-13-17-27(18-14-24)37-21-25-11-15-26(31)16-12-25/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyCRHIECPVIOGBTN-UHFFFAOYSA-N
MW532.64 g/mol
LogP5.53
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide (PubChem CID 43897642) has the molecular formula C30H29FN2O4S and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
PubChem CID43897642
Molecular FormulaC30H29FN2O4S
Molecular Weight532.64 g/mol
Exact Mass532.18
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
SMILESCc1cccc(N(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C30H29FN2O4S/c1-22-7-6-10-29(23(22)2)33(38(35,36)28-8-4-3-5-9-28)20-30(34)32-19-24-13-17-27(18-14-24)37-21-25-11-15-26(31)16-12-25/h3-18H,19-21H2,1-2H3,(H,32,34)
InChIKeyCRHIECPVIOGBTN-UHFFFAOYSA-N
XLogP5.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43901042
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892857
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43892221
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92676343
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43894339
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43897588
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307001
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896165
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28635589

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide (CID 43897642) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide is Cc1cccc(N(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide?
The InChIKey is CRHIECPVIOGBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O4S/c1-22-7-6-10-29(23(22)2)33(38(35,36)28-8-4-3-5-9-28)20-30(34)32-19-24-13-17-27(18-14-24)37-21-25-11-15-26(31)16-12-25/h3-18H,19-21H2,1-2H3,(H,32,34).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide has a molecular weight of 532.64 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 43897642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).