N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide

C18H12BrClN2O2S — CID 142141961

IUPACN-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C18H12BrClN2O2S/c19-11-3-6-13(7-4-11)21-17(23)14-8-5-12(20)10-15(14)22-18(24)16-2-1-9-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeyZCUOPQNJDSENJI-UHFFFAOYSA-N
MW435.73 g/mol
LogP5.67
Rot. Bonds4

About N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide

N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide (PubChem CID 142141961) has the molecular formula C18H12BrClN2O2S and a molecular weight of 435.73 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
PubChem CID142141961
Molecular FormulaC18H12BrClN2O2S
Molecular Weight435.73 g/mol
Exact Mass433.95
IUPAC NameN-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C18H12BrClN2O2S/c19-11-3-6-13(7-4-11)21-17(23)14-8-5-12(20)10-15(14)22-18(24)16-2-1-9-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeyZCUOPQNJDSENJI-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.73
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide (CID 142141961) is N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is ZCUOPQNJDSENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O2S/c19-11-3-6-13(7-4-11)21-17(23)14-8-5-12(20)10-15(14)22-18(24)16-2-1-9-25-16/h1-10H,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide?
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 435.73 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 142141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).