N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide

C18H22N2O3S — CID 51277442

IUPACN-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-6-4-7-15(12-14)10-11-18(21)19-16-8-5-9-17(13-16)24(22,23)20(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyFXTFZHLLHRPMCR-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide

N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 51277442) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
PubChem CID51277442
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-14-6-4-7-15(12-14)10-11-18(21)19-16-8-5-9-17(13-16)24(22,23)20(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyFXTFZHLLHRPMCR-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 135888029
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 6211914
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide (CID 51277442) is N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is FXTFZHLLHRPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-6-4-7-15(12-14)10-11-18(21)19-16-8-5-9-17(13-16)24(22,23)20(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 51277442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).