4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide

C12H18N4O4S — CID 66250424

IUPAC4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)COCC1N
InChIInChI=1S/C12H18N4O4S/c1-12(7-20-6-10(12)13)11(17)15-8-3-2-4-9(5-8)16-21(14,18)19/h2-5,10,16H,6-7,13H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeySXNOQQJPKCGVNC-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.40
Rot. Bonds4

About 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide (PubChem CID 66250424) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
PubChem CID66250424
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)COCC1N
InChIInChI=1S/C12H18N4O4S/c1-12(7-20-6-10(12)13)11(17)15-8-3-2-4-9(5-8)16-21(14,18)19/h2-5,10,16H,6-7,13H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeySXNOQQJPKCGVNC-UHFFFAOYSA-N
XLogP-0.40
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
CID 66251010
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide (CID 66250424) is 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide is CC1(C(=O)Nc2cccc(NS(N)(=O)=O)c2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide?
The InChIKey is SXNOQQJPKCGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-12(7-20-6-10(12)13)11(17)15-8-3-2-4-9(5-8)16-21(14,18)19/h2-5,10,16H,6-7,13H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66250424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).