2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid

C14H18N2O4S — CID 107209387

IUPAC2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid
SMILESCOc1cc(NC(=O)N(C)C2CCSC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O4S/c1-16(10-5-6-21-8-10)14(19)15-9-3-4-11(13(17)18)12(7-9)20-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAMSOYVNTYPVPHU-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.36
Rot. Bonds4

About 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid

2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid (PubChem CID 107209387) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid
PubChem CID107209387
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid
SMILESCOc1cc(NC(=O)N(C)C2CCSC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O4S/c1-16(10-5-6-21-8-10)14(19)15-9-3-4-11(13(17)18)12(7-9)20-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAMSOYVNTYPVPHU-UHFFFAOYSA-N
XLogP2.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 107209601
3-(4-aminophenyl)-1-methyl-1-(thiolan-3-yl)urea
CID 43469117
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
2-methoxy-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid
CID 43296547
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
1-methyl-3-(thiadiazol-5-yl)-1-[(3S)-thiolan-3-yl]urea
CID 99796137
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209521

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid (CID 107209387) is 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid is COc1cc(NC(=O)N(C)C2CCSC2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid?
The InChIKey is AMSOYVNTYPVPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-16(10-5-6-21-8-10)14(19)15-9-3-4-11(13(17)18)12(7-9)20-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid?
2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid has a molecular weight of 310.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 107209387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).