4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

C19H22N2O6S2 — CID 30583256

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-19(11-12-28(23,24)13-19)20-18(22)14-7-9-15(10-8-14)29(25,26)21-16-5-3-4-6-17(16)27-2/h3-10,21H,11-13H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyHPVRZDHCWIDFPQ-LJQANCHMSA-N
MW438.53 g/mol
LogP1.80
Rot. Bonds6

About 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 30583256) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
PubChem CID30583256
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-19(11-12-28(23,24)13-19)20-18(22)14-7-9-15(10-8-14)29(25,26)21-16-5-3-4-6-17(16)27-2/h3-10,21H,11-13H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyHPVRZDHCWIDFPQ-LJQANCHMSA-N
XLogP1.80
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 51414995
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N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
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CID 26538003
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide (CID 30583256) is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is HPVRZDHCWIDFPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-19(11-12-28(23,24)13-19)20-18(22)14-7-9-15(10-8-14)29(25,26)21-16-5-3-4-6-17(16)27-2/h3-10,21H,11-13H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 30583256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).