3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide

C18H20N2O4S2 — CID 42369414

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-13(21)14-3-9-17(10-4-14)26(23,24)19-12-11-18(22)20-15-5-7-16(25-2)8-6-15/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyYCQMMKOMWDEATG-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.92
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 42369414) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
PubChem CID42369414
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-13(21)14-3-9-17(10-4-14)26(23,24)19-12-11-18(22)20-15-5-7-16(25-2)8-6-15/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyYCQMMKOMWDEATG-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 27365344
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide (CID 42369414) is 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is YCQMMKOMWDEATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-13(21)14-3-9-17(10-4-14)26(23,24)19-12-11-18(22)20-15-5-7-16(25-2)8-6-15/h3-10,19H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42369414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).