2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide

C15H23N3O5S2 — CID 50807992

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O5S2/c1-12-4-6-14(7-5-12)18(25(22,23)17(2)3)10-15(19)16-13-8-9-24(20,21)11-13/h4-7,13H,8-11H2,1-3H3,(H,16,19)
InChIKeyUMUHPHJIVUGEPX-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.09
Rot. Bonds6

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 50807992) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID50807992
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O5S2/c1-12-4-6-14(7-5-12)18(25(22,23)17(2)3)10-15(19)16-13-8-9-24(20,21)11-13/h4-7,13H,8-11H2,1-3H3,(H,16,19)
InChIKeyUMUHPHJIVUGEPX-UHFFFAOYSA-N
XLogP-0.09
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155273
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 46364516
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-N-propan-2-ylanilino)acetamide
CID 51103962
2-(N-(3,4-dichlorophenyl)sulfonyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4969037
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
2-[[4-(dimethylamino)phenyl]methylcarbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961749
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 50807992) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide is Cc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UMUHPHJIVUGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-12-4-6-14(7-5-12)18(25(22,23)17(2)3)10-15(19)16-13-8-9-24(20,21)11-13/h4-7,13H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 389.50 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 50807992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).