[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride

C24H23Cl3N2O3S — CID 159731605

IUPAC[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride
SMILES[Cl-].[NH3+]C1CCCC[C@H]1N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C24H22Cl2N2O3S.ClH/c25-15-10-11-16(17(26)12-15)23(29)28(19-9-5-4-8-18(19)27)20-13-21(32-22(20)24(30)31)14-6-2-1-3-7-14;/h1-3,6-7,10-13,18-19H,4-5,8-9,27H2,(H,30,31);1H/t18?,19-;/m1./s1
InChIKeyKNOCDBZPOREEQE-SQTGWKPBSA-N
MW525.89 g/mol
LogP2.62
Rot. Bonds5

About [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride

[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride (PubChem CID 159731605) has the molecular formula C24H23Cl3N2O3S and a molecular weight of 525.89 g/mol. Its IUPAC name is [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride.

Molecular Properties

Compound Name[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride
PubChem CID159731605
Molecular FormulaC24H23Cl3N2O3S
Molecular Weight525.89 g/mol
Exact Mass524.05
IUPAC Name[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride
SMILES[Cl-].[NH3+]C1CCCC[C@H]1N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C24H22Cl2N2O3S.ClH/c25-15-10-11-16(17(26)12-15)23(29)28(19-9-5-4-8-18(19)27)20-13-21(32-22(20)24(30)31)14-6-2-1-3-7-14;/h1-3,6-7,10-13,18-19H,4-5,8-9,27H2,(H,30,31);1H/t18?,19-;/m1./s1
InChIKeyKNOCDBZPOREEQE-SQTGWKPBSA-N
XLogP2.62
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.89
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride with MolForge

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Related Compounds

4-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]piperidine-1-carboxylic acid
CID 22496247
[3-[cyclopentyl-(2,4-dichlorobenzoyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799403
3-[(2,4-dichlorobenzoyl)-(1,3-dioxolan-2-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 10028035
3-[(2,4-dichlorobenzoyl)-(oxan-4-yl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid
CID 24936670
3-[(2,4-dichlorobenzoyl)-(1,3-thiazol-5-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 71080242
4-[[(2,4-dichlorobenzoyl)-(2-methoxycarbonyl-5-phenylthiophen-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22496347
[3-[(1-carbamimidoylpiperidin-4-yl)-(2,4-dichlorobenzoyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798302
3-[(2,4-dichlorobenzoyl)-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid
CID 53234274
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
5-phenyl-3-[propanoyl(thian-4-yl)amino]thiophene-2-carboxylic acid
CID 71057513
5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid
CID 67426759
3-[(4-methylcyclohexanecarbonyl)-(1-phenylpiperidin-1-ium-4-yl)amino]-5-phenylthiophene-2-carboxylic acid chloride
CID 142679198

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride?
The IUPAC name of [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride (CID 159731605) is [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride.
What is the SMILES notation for [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride?
The canonical SMILES for [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride is [Cl-].[NH3+]C1CCCC[C@H]1N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride?
The InChIKey is KNOCDBZPOREEQE-SQTGWKPBSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3S.ClH/c25-15-10-11-16(17(26)12-15)23(29)28(19-9-5-4-8-18(19)27)20-13-21(32-22(20)24(30)31)14-6-2-1-3-7-14;/h1-3,6-7,10-13,18-19H,4-5,8-9,27H2,(H,30,31);1H/t18?,19-;/m1./s1.
What are the key properties of [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride?
[(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride has a molecular weight of 525.89 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]cyclohexyl]azanium chloride is sourced from PubChem (CID 159731605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).