[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate

C18H12ClNO3S — CID 19184736

IUPAC[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2cccs2)cc1
InChIInChI=1S/C18H12ClNO3S/c19-13-5-7-14(8-6-13)20-17(21)12-3-9-15(10-4-12)23-18(22)16-2-1-11-24-16/h1-11H,(H,20,21)
InChIKeyMGCLNRVHZFZUMR-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.87
Rot. Bonds4

About [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate

[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate (PubChem CID 19184736) has the molecular formula C18H12ClNO3S and a molecular weight of 357.82 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
PubChem CID19184736
Molecular FormulaC18H12ClNO3S
Molecular Weight357.82 g/mol
Exact Mass357.02
IUPAC Name[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2cccs2)cc1
InChIInChI=1S/C18H12ClNO3S/c19-13-5-7-14(8-6-13)20-17(21)12-3-9-15(10-4-12)23-18(22)16-2-1-11-24-16/h1-11H,(H,20,21)
InChIKeyMGCLNRVHZFZUMR-UHFFFAOYSA-N
XLogP4.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
CID 30250811
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956
[4-[(E)-N-[[2-(4-acetamidoanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] thiophene-2-carboxylate
CID 19658750
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate (CID 19184736) is [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate is O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=O)c2cccs2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
The InChIKey is MGCLNRVHZFZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3S/c19-13-5-7-14(8-6-13)20-17(21)12-3-9-15(10-4-12)23-18(22)16-2-1-11-24-16/h1-11H,(H,20,21).
What are the key properties of [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate?
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate has a molecular weight of 357.82 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 19184736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).