N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide

C20H25FN2O3S — CID 30402368

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyQOYPTMQQSHESKA-HNNXBMFYSA-N
MW392.50 g/mol
LogP3.32
Rot. Bonds9

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 30402368) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID30402368
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyQOYPTMQQSHESKA-HNNXBMFYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 43906459
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide (CID 30402368) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is QOYPTMQQSHESKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.32, 9 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]-3-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 30402368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).