N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide

C18H22N2O3S2 — CID 9494987

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-4-8-16(9-5-14)24-13-12-18(21)19-15-6-10-17(11-7-15)25(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyRLWZKKVZBAGYAJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.37
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 9494987) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID9494987
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-4-8-16(9-5-14)24-13-12-18(21)19-15-6-10-17(11-7-15)25(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyRLWZKKVZBAGYAJ-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
CID 2465537
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524496

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 9494987) is N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is RLWZKKVZBAGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-4-8-16(9-5-14)24-13-12-18(21)19-15-6-10-17(11-7-15)25(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 9494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).