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

C17H15Cl2NOS — CID 50899491

IUPAC(2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C17H15Cl2NOS/c1-3-7-20-10(2)8-11-9-14(22-17(11)20)16(21)12-5-4-6-13(18)15(12)19/h4-6,8-9H,3,7H2,1-2H3
InChIKeyNKBDRNFSXWILEX-UHFFFAOYSA-N
MW352.29 g/mol
LogP5.96
Rot. Bonds4

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

(2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 50899491) has the molecular formula C17H15Cl2NOS and a molecular weight of 352.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID50899491
Molecular FormulaC17H15Cl2NOS
Molecular Weight352.29 g/mol
Exact Mass351.03
IUPAC Name(2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone
SMILESCCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C17H15Cl2NOS/c1-3-7-20-10(2)8-11-9-14(22-17(11)20)16(21)12-5-4-6-13(18)15(12)19/h4-6,8-9H,3,7H2,1-2H3
InChIKeyNKBDRNFSXWILEX-UHFFFAOYSA-N
XLogP5.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.29
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone (CID 50899491) is (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone is CCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21.
What is the InChIKey of (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is NKBDRNFSXWILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NOS/c1-3-7-20-10(2)8-11-9-14(22-17(11)20)16(21)12-5-4-6-13(18)15(12)19/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone?
(2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 352.29 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(5-methyl-6-propylthieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 50899491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).