3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide

C13H19N3O4S — CID 64891328

IUPAC3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCOC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19N3O4S/c1-9-7-10(3-4-11(9)16-21(2,18)19)15-12(17)13(14)5-6-20-8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyIQLUJLYLBMPLLG-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide (PubChem CID 64891328) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
PubChem CID64891328
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCOC2)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19N3O4S/c1-9-7-10(3-4-11(9)16-21(2,18)19)15-12(17)13(14)5-6-20-8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyIQLUJLYLBMPLLG-UHFFFAOYSA-N
XLogP0.42
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
5-[(3-aminooxolane-3-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 64892399
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide (CID 64891328) is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide is Cc1cc(NC(=O)C2(N)CCOC2)ccc1NS(C)(=O)=O.
What is the InChIKey of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide?
The InChIKey is IQLUJLYLBMPLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-7-10(3-4-11(9)16-21(2,18)19)15-12(17)13(14)5-6-20-8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide?
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).