2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid

C14H14ClNO2S — CID 62711700

IUPAC2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
SMILESCC(Cc1ccsc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H14ClNO2S/c1-9(7-10-5-6-19-8-10)16-12-4-2-3-11(15)13(12)14(17)18/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyHGPRILXLSIHVOZ-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.14
Rot. Bonds5

About 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid

2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid (PubChem CID 62711700) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
PubChem CID62711700
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
SMILESCC(Cc1ccsc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C14H14ClNO2S/c1-9(7-10-5-6-19-8-10)16-12-4-2-3-11(15)13(12)14(17)18/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyHGPRILXLSIHVOZ-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
2-bromo-3-fluoro-4-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 107540068
2-chloro-6-(1-ethoxypropan-2-ylamino)benzoic acid
CID 62710680
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
2-chloro-6-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63540556
2-fluoro-6-(1-phenylpropan-2-ylamino)benzoic acid
CID 79511012
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474487
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid (CID 62711700) is 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid is CC(Cc1ccsc1)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid?
The InChIKey is HGPRILXLSIHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9(7-10-5-6-19-8-10)16-12-4-2-3-11(15)13(12)14(17)18/h2-6,8-9,16H,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid?
2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid has a molecular weight of 295.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid is sourced from PubChem (CID 62711700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).