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

C18H12Cl2N2O3S — CID 57423489

IUPAC2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid
SMILESO=C(Nc1sc(-c2ccccc2)cc1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N2O3S/c19-12-7-4-8-13(20)15(12)21-18(25)22-16-11(17(23)24)9-14(26-16)10-5-2-1-3-6-10/h1-9H,(H,23,24)(H2,21,22,25)
InChIKeyGUAJINCXTLQDTN-UHFFFAOYSA-N
MW407.28 g/mol
LogP6.06
Rot. Bonds4

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

2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid (PubChem CID 57423489) has the molecular formula C18H12Cl2N2O3S and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid
PubChem CID57423489
Molecular FormulaC18H12Cl2N2O3S
Molecular Weight407.28 g/mol
Exact Mass405.99
IUPAC Name2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid
SMILESO=C(Nc1sc(-c2ccccc2)cc1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N2O3S/c19-12-7-4-8-13(20)15(12)21-18(25)22-16-11(17(23)24)9-14(26-16)10-5-2-1-3-6-10/h1-9H,(H,23,24)(H2,21,22,25)
InChIKeyGUAJINCXTLQDTN-UHFFFAOYSA-N
XLogP6.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid
CID 57423495
cyclohexyl 2-[[2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carbonyl]amino]acetate
CID 69452843
5-phenyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 68769318
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572
2-(carbamoylamino)-5-pyridin-4-ylthiophene-3-carboxylic acid
CID 69486387
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
N-(2,6-dichlorophenyl)-2-phenylbenzamide
CID 2227339
(2S)-2-[[2-[(2,6-dichlorophenyl)carbamoylamino]-5-(1-methylpyrazol-4-yl)thiophene-3-carbonyl]amino]-2-(1-methylcyclohexyl)acetic acid
CID 69433936
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860630
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626
2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860628

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid (CID 57423489) is 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid is O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid?
The InChIKey is GUAJINCXTLQDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3S/c19-12-7-4-8-13(20)15(12)21-18(25)22-16-11(17(23)24)9-14(26-16)10-5-2-1-3-6-10/h1-9H,(H,23,24)(H2,21,22,25).
What are the key properties of 2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid?
2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carboxylic acid has a molecular weight of 407.28 g/mol, XLogP of 6.06, 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-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 57423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).