N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide

C15H22N2O6S2 — CID 110411787

IUPACN-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H22N2O6S2/c1-11(15(18)16-13-6-7-24(19,20)10-13)9-25(21,22)17-12-4-3-5-14(8-12)23-2/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyYEAZIBJTKSUKKE-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.38
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide (PubChem CID 110411787) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
PubChem CID110411787
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H22N2O6S2/c1-11(15(18)16-13-6-7-24(19,20)10-13)9-25(21,22)17-12-4-3-5-14(8-12)23-2/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyYEAZIBJTKSUKKE-UHFFFAOYSA-N
XLogP0.38
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048157
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
3-(4-cyanopiperidin-1-yl)-N-(3-methoxyphenyl)-2-methyl-3-oxopropane-1-sulfonamide
CID 110634356
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
N-(1,1-dioxothiolan-3-yl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109372484
O-(3-methoxyphenyl) N-(1,1-dioxothiolan-3-yl)carbamothioate
CID 102566974
methyl 3-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 8639967
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867
N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110409522
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81375776

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide (CID 110411787) is N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide is COc1cccc(NS(=O)(=O)CC(C)C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The InChIKey is YEAZIBJTKSUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-11(15(18)16-13-6-7-24(19,20)10-13)9-25(21,22)17-12-4-3-5-14(8-12)23-2/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide is sourced from PubChem (CID 110411787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).