N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide

C18H13ClN2OS — CID 1487627

IUPACN-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2cc(C(=O)Nc3cccc(Cl)c3)sc21
InChIInChI=1S/C18H13ClN2OS/c1-21-15-8-3-2-7-13(15)14-10-16(23-18(14)21)17(22)20-12-6-4-5-11(19)9-12/h2-10H,1H3,(H,20,22)
InChIKeyCQPGPQGNHNJBNC-UHFFFAOYSA-N
MW340.84 g/mol
LogP5.30
Rot. Bonds2

About N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide

N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide (PubChem CID 1487627) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide
PubChem CID1487627
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC NameN-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2cc(C(=O)Nc3cccc(Cl)c3)sc21
InChIInChI=1S/C18H13ClN2OS/c1-21-15-8-3-2-7-13(15)14-10-16(23-18(14)21)17(22)20-12-6-4-5-11(19)9-12/h2-10H,1H3,(H,20,22)
InChIKeyCQPGPQGNHNJBNC-UHFFFAOYSA-N
XLogP5.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide (CID 1487627) is N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide is Cn1c2ccccc2c2cc(C(=O)Nc3cccc(Cl)c3)sc21.
What is the InChIKey of N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
The InChIKey is CQPGPQGNHNJBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c1-21-15-8-3-2-7-13(15)14-10-16(23-18(14)21)17(22)20-12-6-4-5-11(19)9-12/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide?
N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide has a molecular weight of 340.84 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide is sourced from PubChem (CID 1487627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).