4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide

C22H30N2O3S — CID 144925787

IUPAC4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide
SMILESCN(CCCc1ccccc1)C(=O)CCCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-16-14-20(15-17-21)11-7-13-22(25)24(3)18-8-12-19-9-5-4-6-10-19/h4-6,9-10,14-17H,7-8,11-13,18H2,1-3H3
InChIKeyCWNDYHDILXKMCT-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.35
Rot. Bonds10

About 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide

4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide (PubChem CID 144925787) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide
PubChem CID144925787
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide
SMILESCN(CCCc1ccccc1)C(=O)CCCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-16-14-20(15-17-21)11-7-13-22(25)24(3)18-8-12-19-9-5-4-6-10-19/h4-6,9-10,14-17H,7-8,11-13,18H2,1-3H3
InChIKeyCWNDYHDILXKMCT-UHFFFAOYSA-N
XLogP3.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide (CID 144925787) is 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide is CN(CCCc1ccccc1)C(=O)CCCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide?
The InChIKey is CWNDYHDILXKMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-16-14-20(15-17-21)11-7-13-22(25)24(3)18-8-12-19-9-5-4-6-10-19/h4-6,9-10,14-17H,7-8,11-13,18H2,1-3H3.
What are the key properties of 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide?
4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide has a molecular weight of 402.56 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)phenyl]-N-methyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 144925787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).