2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid

C16H17NO2S — CID 62515880

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(Cc2cccs2)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H17NO2S/c1-11-4-7-15(14(9-11)16(18)19)17(12-5-6-12)10-13-3-2-8-20-13/h2-4,7-9,12H,5-6,10H2,1H3,(H,18,19)
InChIKeyMAEYDWMGLRSFGQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.92
Rot. Bonds5

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid (PubChem CID 62515880) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
PubChem CID62515880
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(N(Cc2cccs2)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H17NO2S/c1-11-4-7-15(14(9-11)16(18)19)17(12-5-6-12)10-13-3-2-8-20-13/h2-4,7-9,12H,5-6,10H2,1H3,(H,18,19)
InChIKeyMAEYDWMGLRSFGQ-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
CID 61449250
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid (CID 62515880) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid is Cc1ccc(N(Cc2cccs2)C2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid?
The InChIKey is MAEYDWMGLRSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-4-7-15(14(9-11)16(18)19)17(12-5-6-12)10-13-3-2-8-20-13/h2-4,7-9,12H,5-6,10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid has a molecular weight of 287.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 62515880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).