3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide

C18H26N2O5S2 — CID 55613304

IUPAC3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(CC2CCCO2)C2CCSC2)c1
InChIInChI=1S/C18H26N2O5S2/c1-19(24-2)27(22,23)17-7-3-5-14(11-17)18(21)20(15-8-10-26-13-15)12-16-6-4-9-25-16/h3,5,7,11,15-16H,4,6,8-10,12-13H2,1-2H3
InChIKeyPKRWGQSUTNAVCH-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.00
Rot. Bonds7

About 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide

3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 55613304) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
PubChem CID55613304
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N(CC2CCCO2)C2CCSC2)c1
InChIInChI=1S/C18H26N2O5S2/c1-19(24-2)27(22,23)17-7-3-5-14(11-17)18(21)20(15-8-10-26-13-15)12-16-6-4-9-25-16/h3,5,7,11,15-16H,4,6,8-10,12-13H2,1-2H3
InChIKeyPKRWGQSUTNAVCH-UHFFFAOYSA-N
XLogP2.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613249
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613748
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-N-[(3S)-thiolan-3-yl]-3H-1,3-benzoxazole-6-carboxamide
CID 95907854
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)prop-2-enamide
CID 55613311
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613713

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide (CID 55613304) is 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)N(CC2CCCO2)C2CCSC2)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is PKRWGQSUTNAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c1-19(24-2)27(22,23)17-7-3-5-14(11-17)18(21)20(15-8-10-26-13-15)12-16-6-4-9-25-16/h3,5,7,11,15-16H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide?
3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 55613304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).