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

C16H24N2O5S — CID 99981122

IUPAC4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1
InChIInChI=1S/C16H24N2O5S/c1-11(10-23-2)18-24(21,22)15-9-12(16(19)20)7-8-14(15)17-13-5-3-4-6-13/h7-9,11,13,17-18H,3-6,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeySEOSSTRBBVBOBF-LLVKDONJSA-N
MW356.44 g/mol
LogP2.05
Rot. Bonds8

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

4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 99981122) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID99981122
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCOC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1
InChIInChI=1S/C16H24N2O5S/c1-11(10-23-2)18-24(21,22)15-9-12(16(19)20)7-8-14(15)17-13-5-3-4-6-13/h7-9,11,13,17-18H,3-6,10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeySEOSSTRBBVBOBF-LLVKDONJSA-N
XLogP2.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
3-(cycloheptylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99978489
4-(1-methoxypropan-2-ylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 132651455
4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981147
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
CID 99981288
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
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(prop-2-enylamino)benzoic acid
CID 99981112
4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977705
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (CID 99981122) is 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is SEOSSTRBBVBOBF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11(10-23-2)18-24(21,22)15-9-12(16(19)20)7-8-14(15)17-13-5-3-4-6-13/h7-9,11,13,17-18H,3-6,10H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 356.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 99981122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).