3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide

C20H26N2O3S2 — CID 55982530

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-5-27(24,25)22-19-9-7-17(12-16(19)4)21-20(23)10-11-26-18-8-6-14(2)15(3)13-18/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeySPTVCLMFXXOAJF-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.49
Rot. Bonds8

About 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide (PubChem CID 55982530) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
PubChem CID55982530
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-5-27(24,25)22-19-9-7-17(12-16(19)4)21-20(23)10-11-26-18-8-6-14(2)15(3)13-18/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23)
InChIKeySPTVCLMFXXOAJF-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-[4-[4-(ethylsulfonylamino)-3-methylanilino]-4-oxobutyl]benzamide
CID 55947808
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55947553

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide (CID 55982530) is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCSc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide?
The InChIKey is SPTVCLMFXXOAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-5-27(24,25)22-19-9-7-17(12-16(19)4)21-20(23)10-11-26-18-8-6-14(2)15(3)13-18/h6-9,12-13,22H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide has a molecular weight of 406.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide is sourced from PubChem (CID 55982530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).