N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide

C16H24N2O6S2 — CID 8797616

IUPACN-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C16H24N2O6S2/c1-4-8-18(13-7-9-25(20,21)11-13)26(22,23)14-5-6-16(24-3)15(10-14)17-12(2)19/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyBWGJRQKKBBSRCB-CYBMUJFWSA-N
MW404.51 g/mol
LogP1.24
Rot. Bonds7

About N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 8797616) has the molecular formula C16H24N2O6S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID8797616
Molecular FormulaC16H24N2O6S2
Molecular Weight404.51 g/mol
Exact Mass404.11
IUPAC NameN-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C16H24N2O6S2/c1-4-8-18(13-7-9-25(20,21)11-13)26(22,23)14-5-6-16(24-3)15(10-14)17-12(2)19/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyBWGJRQKKBBSRCB-CYBMUJFWSA-N
XLogP1.24
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
CID 55639384
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 1251787
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
CID 9188070
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide (CID 8797616) is N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide is CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is BWGJRQKKBBSRCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O6S2/c1-4-8-18(13-7-9-25(20,21)11-13)26(22,23)14-5-6-16(24-3)15(10-14)17-12(2)19/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 8797616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).