4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid

C15H17NO3S — CID 81304393

IUPAC4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
SMILESCCC(Nc1cc(OC)ccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H17NO3S/c1-3-12(14-5-4-8-20-14)16-13-9-10(19-2)6-7-11(13)15(17)18/h4-9,12,16H,3H2,1-2H3,(H,17,18)
InChIKeyCMVKCADNRYXWDX-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.02
Rot. Bonds6

About 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid

4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid (PubChem CID 81304393) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
PubChem CID81304393
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
SMILESCCC(Nc1cc(OC)ccc1C(=O)O)c1cccs1
InChIInChI=1S/C15H17NO3S/c1-3-12(14-5-4-8-20-14)16-13-9-10(19-2)6-7-11(13)15(17)18/h4-9,12,16H,3H2,1-2H3,(H,17,18)
InChIKeyCMVKCADNRYXWDX-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
4-methoxy-2-(4-methylhexan-2-ylamino)benzoic acid
CID 81309245
3-[(2,4-dimethoxybenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350859
2-(1-ethylsulfanylpropan-2-ylamino)-4-methoxybenzoic acid
CID 113499352
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 131902191
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62710326
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid (CID 81304393) is 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid is CCC(Nc1cc(OC)ccc1C(=O)O)c1cccs1.
What is the InChIKey of 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid?
The InChIKey is CMVKCADNRYXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-12(14-5-4-8-20-14)16-13-9-10(19-2)6-7-11(13)15(17)18/h4-9,12,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid?
4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid has a molecular weight of 291.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid is sourced from PubChem (CID 81304393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).