4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

C22H20N2O4S2 — CID 25348450

IUPAC4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-15(25)16-9-13-19(14-10-16)30(27,28)24-18-11-7-17(8-12-18)22(26)23-20-5-3-4-6-21(20)29-2/h3-14,24H,1-2H3,(H,23,26)
InChIKeyKISPGUARQIKEIW-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.66
Rot. Bonds7

About 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide

4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 25348450) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID25348450
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC Name4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-15(25)16-9-13-19(14-10-16)30(27,28)24-18-11-7-17(8-12-18)22(26)23-20-5-3-4-6-21(20)29-2/h3-14,24H,1-2H3,(H,23,26)
InChIKeyKISPGUARQIKEIW-UHFFFAOYSA-N
XLogP4.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 37312010
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide (CID 25348450) is 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is KISPGUARQIKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-15(25)16-9-13-19(14-10-16)30(27,28)24-18-11-7-17(8-12-18)22(26)23-20-5-3-4-6-21(20)29-2/h3-14,24H,1-2H3,(H,23,26).
What are the key properties of 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide?
4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 25348450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).