(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone

C14H10ClNOS — CID 57085354

IUPAC(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone
SMILESCc1csc2[nH]c(C(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C14H10ClNOS/c1-8-7-18-14-11(8)6-12(16-14)13(17)9-2-4-10(15)5-3-9/h2-7,16H,1H3
InChIKeyKEPPNKOGGWMCTB-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.42
Rot. Bonds2

About (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone

(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone (PubChem CID 57085354) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone
PubChem CID57085354
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone
SMILESCc1csc2[nH]c(C(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C14H10ClNOS/c1-8-7-18-14-11(8)6-12(16-14)13(17)9-2-4-10(15)5-3-9/h2-7,16H,1H3
InChIKeyKEPPNKOGGWMCTB-UHFFFAOYSA-N
XLogP4.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone (CID 57085354) is (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone is Cc1csc2[nH]c(C(=O)c3ccc(Cl)cc3)cc12.
What is the InChIKey of (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone?
The InChIKey is KEPPNKOGGWMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c1-8-7-18-14-11(8)6-12(16-14)13(17)9-2-4-10(15)5-3-9/h2-7,16H,1H3.
What are the key properties of (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone?
(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone has a molecular weight of 275.76 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 57085354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).