N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

C24H25FN2O3S — CID 43906459

IUPACN-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-3-12-22(13-4-17)27-31(29,30)23-14-5-19(6-15-23)7-16-24(28)26-18(2)20-8-10-21(25)11-9-20/h3-6,8-15,18,27H,7,16H2,1-2H3,(H,26,28)
InChIKeyDXRFZQFOXIAROA-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.74
Rot. Bonds8

About N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 43906459) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID43906459
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-3-12-22(13-4-17)27-31(29,30)23-14-5-19(6-15-23)7-16-24(28)26-18(2)20-8-10-21(25)11-9-20/h3-6,8-15,18,27H,7,16H2,1-2H3,(H,26,28)
InChIKeyDXRFZQFOXIAROA-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (CID 43906459) is N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is DXRFZQFOXIAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-17-3-12-22(13-4-17)27-31(29,30)23-14-5-19(6-15-23)7-16-24(28)26-18(2)20-8-10-21(25)11-9-20/h3-6,8-15,18,27H,7,16H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 440.54 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 43906459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).