N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C14H19ClN2OS — CID 122175862

IUPACN-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2sc(Cl)cc2n1C
InChIInChI=1S/C14H19ClN2OS/c1-4-6-7-17(5-2)14(18)11-8-12-10(16(11)3)9-13(15)19-12/h8-9H,4-7H2,1-3H3
InChIKeyUFCMZSYJOVUDFW-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.16
Rot. Bonds5

About N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 122175862) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID122175862
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2sc(Cl)cc2n1C
InChIInChI=1S/C14H19ClN2OS/c1-4-6-7-17(5-2)14(18)11-8-12-10(16(11)3)9-13(15)19-12/h8-9H,4-7H2,1-3H3
InChIKeyUFCMZSYJOVUDFW-UHFFFAOYSA-N
XLogP4.16
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 122175862) is N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CCCCN(CC)C(=O)c1cc2sc(Cl)cc2n1C.
What is the InChIKey of N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UFCMZSYJOVUDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-6-7-17(5-2)14(18)11-8-12-10(16(11)3)9-13(15)19-12/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 298.84 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-ethyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 122175862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).