3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide

C12H17N3O5S — CID 64892328

IUPAC3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C12H17N3O5S/c1-19-10-3-2-8(21(14,17)18)6-9(10)15-11(16)12(13)4-5-20-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCNEKUGMBVBKRHT-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.60
Rot. Bonds4

About 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide

3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide (PubChem CID 64892328) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide
PubChem CID64892328
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)C1(N)CCOC1
InChIInChI=1S/C12H17N3O5S/c1-19-10-3-2-8(21(14,17)18)6-9(10)15-11(16)12(13)4-5-20-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCNEKUGMBVBKRHT-UHFFFAOYSA-N
XLogP-0.60
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)morpholine-4-carboxamide
CID 78994050
3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide (CID 64892328) is 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide?
The InChIKey is CNEKUGMBVBKRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-19-10-3-2-8(21(14,17)18)6-9(10)15-11(16)12(13)4-5-20-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide?
3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-5-sulfamoylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).