3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide

C23H30N2O6S2 — CID 167908879

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)Cc2ccccc2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H30N2O6S2/c1-4-24(16-18-9-7-6-8-10-18)33(29,30)22-15-19(11-12-21(22)31-3)23(26)25(5-2)20-13-14-32(27,28)17-20/h6-12,15,20H,4-5,13-14,16-17H2,1-3H3
InChIKeyKDNLIYYSGUMKKL-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.56
Rot. Bonds9

About 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide

3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide (PubChem CID 167908879) has the molecular formula C23H30N2O6S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
PubChem CID167908879
Molecular FormulaC23H30N2O6S2
Molecular Weight494.64 g/mol
Exact Mass494.15
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)Cc2ccccc2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H30N2O6S2/c1-4-24(16-18-9-7-6-8-10-18)33(29,30)22-15-19(11-12-21(22)31-3)23(26)25(5-2)20-13-14-32(27,28)17-20/h6-12,15,20H,4-5,13-14,16-17H2,1-3H3
InChIKeyKDNLIYYSGUMKKL-UHFFFAOYSA-N
XLogP2.56
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide with MolForge

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Related Compounds

3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
CID 97028486
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 55507710
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 43346859
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 17014014
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109156279
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 8781845
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1,3-diethylurea
CID 108988980

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide (CID 167908879) is 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)Cc2ccccc2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide?
The InChIKey is KDNLIYYSGUMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S2/c1-4-24(16-18-9-7-6-8-10-18)33(29,30)22-15-19(11-12-21(22)31-3)23(26)25(5-2)20-13-14-32(27,28)17-20/h6-12,15,20H,4-5,13-14,16-17H2,1-3H3.
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide has a molecular weight of 494.64 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 167908879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).