2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid

C15H14Cl2N2O3S — CID 57423495

IUPAC2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(NC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C15H14Cl2N2O3S/c1-7(2)11-6-8(14(20)21)13(23-11)19-15(22)18-12-9(16)4-3-5-10(12)17/h3-7H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyAGBLHWIWKVXRBK-UHFFFAOYSA-N
MW373.26 g/mol
LogP5.52
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid

2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid (PubChem CID 57423495) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid
PubChem CID57423495
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Name2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(NC(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C15H14Cl2N2O3S/c1-7(2)11-6-8(14(20)21)13(23-11)19-15(22)18-12-9(16)4-3-5-10(12)17/h3-7H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyAGBLHWIWKVXRBK-UHFFFAOYSA-N
XLogP5.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.26
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid
CID 57423489
[cyclohexyl-[2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carbonyl]amino] acetate
CID 87832846
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7916277
3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
(2S)-2-[[5-benzyl-2-[(2,6-dichlorophenyl)carbamoylamino]thiophene-3-carbonyl]amino]-2-(1-methylcyclohexyl)acetic acid
CID 69432448
methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 1225483
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
methyl (2S)-2-cyclohexyl-2-[[2-[(2,6-dichlorophenyl)carbamoylamino]-5-methylthiophene-3-carbonyl]amino]acetate
CID 58994821
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid (CID 57423495) is 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid is CC(C)c1cc(C(=O)O)c(NC(=O)Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid?
The InChIKey is AGBLHWIWKVXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-7(2)11-6-8(14(20)21)13(23-11)19-15(22)18-12-9(16)4-3-5-10(12)17/h3-7H,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid?
2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid has a molecular weight of 373.26 g/mol, XLogP of 5.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 57423495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).