2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide

C14H20N2O5S — CID 35230864

IUPAC2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H20N2O5S/c1-9(12-4-3-7-21-12)16-14(17)11-8-10(22(15,18)19)5-6-13(11)20-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)/t9-,12-/m1/s1
InChIKeyWRGURRJQVPVJKP-BXKDBHETSA-N
MW328.39 g/mol
LogP0.64
Rot. Bonds5

About 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide

2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide (PubChem CID 35230864) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
PubChem CID35230864
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H20N2O5S/c1-9(12-4-3-7-21-12)16-14(17)11-8-10(22(15,18)19)5-6-13(11)20-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)/t9-,12-/m1/s1
InChIKeyWRGURRJQVPVJKP-BXKDBHETSA-N
XLogP0.64
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 60966372
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 93044901
4-[(2-methoxyphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43062290
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
2-methoxy-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5-sulfamoylbenzamide
CID 125170561
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide (CID 35230864) is 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide?
The InChIKey is WRGURRJQVPVJKP-BXKDBHETSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-9(12-4-3-7-21-12)16-14(17)11-8-10(22(15,18)19)5-6-13(11)20-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)/t9-,12-/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide?
2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 35230864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).