N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide

C18H22N2O3S — CID 6465200

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-8-6-5-7-9-14)18(21)19-15-10-12-16(13-11-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21)
InChIKeyMKEKOYZDWBHNNA-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide (PubChem CID 6465200) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
PubChem CID6465200
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-17(14-8-6-5-7-9-14)18(21)19-15-10-12-16(13-11-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21)
InChIKeyMKEKOYZDWBHNNA-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide (CID 6465200) is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide?
The InChIKey is MKEKOYZDWBHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-17(14-8-6-5-7-9-14)18(21)19-15-10-12-16(13-11-15)24(22,23)20(2)3/h5-13,17H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide has a molecular weight of 346.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 6465200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).