3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid

C16H26N2O5S — CID 99981288

IUPAC3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C
InChIInChI=1S/C16H26N2O5S/c1-11(2)7-8-17-14-6-5-13(16(19)20)9-15(14)24(21,22)18-12(3)10-23-4/h5-6,9,11-12,17-18H,7-8,10H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyBBTWWXBPIQYDDN-GFCCVEGCSA-N
MW358.46 g/mol
LogP2.16
Rot. Bonds10

About 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid

3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid (PubChem CID 99981288) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
PubChem CID99981288
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C
InChIInChI=1S/C16H26N2O5S/c1-11(2)7-8-17-14-6-5-13(16(19)20)9-15(14)24(21,22)18-12(3)10-23-4/h5-6,9,11-12,17-18H,7-8,10H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyBBTWWXBPIQYDDN-GFCCVEGCSA-N
XLogP2.16
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)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

4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981147
4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652558
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(prop-2-enylamino)benzoic acid
CID 99981112
4-(2-methoxyethylamino)-3-(3-methylbutylsulfamoyl)benzoic acid
CID 99980659
3-(butan-2-ylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652557
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99977956
4-(1-methoxypropan-2-ylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 132651455
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
3-[[(2R)-pentan-2-yl]sulfamoyl]-4-(propylamino)benzoic acid
CID 99980772
4-(2-methoxyethylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979186
4-(2-methoxyethylamino)-3-(1-phenylethylsulfamoyl)benzoic acid
CID 132656810
3-[[(2R)-butan-2-yl]sulfamoyl]-4-(2-hydroxyethylamino)benzoic acid
CID 99977847

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid?
The IUPAC name of 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid (CID 99981288) is 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid.
What is the SMILES notation for 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid?
The canonical SMILES for 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid is COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C.
What is the InChIKey of 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid?
The InChIKey is BBTWWXBPIQYDDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-11(2)7-8-17-14-6-5-13(16(19)20)9-15(14)24(21,22)18-12(3)10-23-4/h5-6,9,11-12,17-18H,7-8,10H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid?
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid has a molecular weight of 358.46 g/mol, XLogP of 2.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid is sourced from PubChem (CID 99981288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).