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

C17H16ClNOS — CID 53358994

IUPAC(3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc(Cl)c2)c2ccsc21
InChIInChI=1S/C17H16ClNOS/c1-3-8-19-11(2)15(14-7-9-21-17(14)19)16(20)12-5-4-6-13(18)10-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIABNKHNTDVEMEJ-UHFFFAOYSA-N
MW317.84 g/mol
LogP5.31
Rot. Bonds4

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

(3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone (PubChem CID 53358994) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone
PubChem CID53358994
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc(Cl)c2)c2ccsc21
InChIInChI=1S/C17H16ClNOS/c1-3-8-19-11(2)15(14-7-9-21-17(14)19)16(20)12-5-4-6-13(18)10-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIABNKHNTDVEMEJ-UHFFFAOYSA-N
XLogP5.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone (CID 53358994) is (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone is CCCn1c(C)c(C(=O)c2cccc(Cl)c2)c2ccsc21.
What is the InChIKey of (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone?
The InChIKey is IABNKHNTDVEMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-3-8-19-11(2)15(14-7-9-21-17(14)19)16(20)12-5-4-6-13(18)10-12/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone?
(3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone has a molecular weight of 317.84 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 53358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).