3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine

C19H26N2O3S — CID 110627484

IUPAC3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCC(Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H26N2O3S/c1-3-13-20-25(22,23)21-15-18(17-7-5-4-6-8-17)14-16-9-11-19(24-2)12-10-16/h4-12,18,20-21H,3,13-15H2,1-2H3
InChIKeyKWXIBKUDNBBGMS-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.86
Rot. Bonds10

About 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine

3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine (PubChem CID 110627484) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
PubChem CID110627484
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCC(Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H26N2O3S/c1-3-13-20-25(22,23)21-15-18(17-7-5-4-6-8-17)14-16-9-11-19(24-2)12-10-16/h4-12,18,20-21H,3,13-15H2,1-2H3
InChIKeyKWXIBKUDNBBGMS-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene
CID 110288466
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
[(2R)-2,3-bis(4-methoxyphenyl)propyl] methanesulfonate
CID 129384796

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine (CID 110627484) is 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine is CCCNS(=O)(=O)NCC(Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine?
The InChIKey is KWXIBKUDNBBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-3-13-20-25(22,23)21-15-18(17-7-5-4-6-8-17)14-16-9-11-19(24-2)12-10-16/h4-12,18,20-21H,3,13-15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine?
3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine has a molecular weight of 362.50 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine is sourced from PubChem (CID 110627484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).