5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide

C19H15BrN2OS — CID 2313809

IUPAC5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)s3)ccc21
InChIInChI=1S/C19H15BrN2OS/c1-2-22-15-6-4-3-5-13(15)14-11-12(7-8-16(14)22)21-19(23)17-9-10-18(20)24-17/h3-11H,2H2,1H3,(H,21,23)
InChIKeyKBNPBNBBHATCPG-UHFFFAOYSA-N
MW399.31 g/mol
LogP5.89
Rot. Bonds3

About 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide

5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide (PubChem CID 2313809) has the molecular formula C19H15BrN2OS and a molecular weight of 399.31 g/mol. Its IUPAC name is 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
PubChem CID2313809
Molecular FormulaC19H15BrN2OS
Molecular Weight399.31 g/mol
Exact Mass398.01
IUPAC Name5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)s3)ccc21
InChIInChI=1S/C19H15BrN2OS/c1-2-22-15-6-4-3-5-13(15)14-11-12(7-8-16(14)22)21-19(23)17-9-10-18(20)24-17/h3-11H,2H2,1H3,(H,21,23)
InChIKeyKBNPBNBBHATCPG-UHFFFAOYSA-N
XLogP5.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide (CID 2313809) is 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)s3)ccc21.
What is the InChIKey of 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide?
The InChIKey is KBNPBNBBHATCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2OS/c1-2-22-15-6-4-3-5-13(15)14-11-12(7-8-16(14)22)21-19(23)17-9-10-18(20)24-17/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide?
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide has a molecular weight of 399.31 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2313809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).