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

C16H14ClNOS — CID 15591630

IUPAC(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCc1csc2[nH]cc(C(=O)c3ccccc3Cl)c12
InChIInChI=1S/C16H14ClNOS/c1-2-5-10-9-20-16-14(10)12(8-18-16)15(19)11-6-3-4-7-13(11)17/h3-4,6-9,18H,2,5H2,1H3
InChIKeyCDCHTGJNJNTTJE-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.07
Rot. Bonds4

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

(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (PubChem CID 15591630) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
PubChem CID15591630
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCc1csc2[nH]cc(C(=O)c3ccccc3Cl)c12
InChIInChI=1S/C16H14ClNOS/c1-2-5-10-9-20-16-14(10)12(8-18-16)15(19)11-6-3-4-7-13(11)17/h3-4,6-9,18H,2,5H2,1H3
InChIKeyCDCHTGJNJNTTJE-UHFFFAOYSA-N
XLogP5.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (CID 15591630) is (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is CCCc1csc2[nH]cc(C(=O)c3ccccc3Cl)c12.
What is the InChIKey of (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The InChIKey is CDCHTGJNJNTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-2-5-10-9-20-16-14(10)12(8-18-16)15(19)11-6-3-4-7-13(11)17/h3-4,6-9,18H,2,5H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
(2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone has a molecular weight of 303.81 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 15591630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).