N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C23H23FN2O3S — CID 94018670

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C23H23FN2O3S/c1-15-4-12-21(13-5-15)26-30(28,29)22-14-19(7-6-16(22)2)23(27)25-17(3)18-8-10-20(24)11-9-18/h4-14,17,26H,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyBYXMEAWKQNLLRN-KRWDZBQOSA-N
MW426.51 g/mol
LogP4.73
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 94018670) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID94018670
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1
InChIInChI=1S/C23H23FN2O3S/c1-15-4-12-21(13-5-15)26-30(28,29)22-14-19(7-6-16(22)2)23(27)25-17(3)18-8-10-20(24)11-9-18/h4-14,17,26H,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyBYXMEAWKQNLLRN-KRWDZBQOSA-N
XLogP4.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133188274
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 94018670) is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BYXMEAWKQNLLRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-15-4-12-21(13-5-15)26-30(28,29)22-14-19(7-6-16(22)2)23(27)25-17(3)18-8-10-20(24)11-9-18/h4-14,17,26H,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 94018670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).