N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide

C18H22N2O3S — CID 24571120

IUPACN-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-3-14-4-9-16(10-5-14)20-18(21)13-8-15-6-11-17(12-7-15)24(19,22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCQCYQCHYUBVVQM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.86
Rot. Bonds7

About N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide

N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 24571120) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID24571120
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-2-3-14-4-9-16(10-5-14)20-18(21)13-8-15-6-11-17(12-7-15)24(19,22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyCQCYQCHYUBVVQM-UHFFFAOYSA-N
XLogP2.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 147765273
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583

Frequently Asked Questions

What is the IUPAC name of N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide (CID 24571120) is N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide is CCCc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is CQCYQCHYUBVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-3-14-4-9-16(10-5-14)20-18(21)13-8-15-6-11-17(12-7-15)24(19,22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide?
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24571120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).