N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide

C14H18N2OS — CID 42656507

IUPACN-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCn1c(C(=O)NC2CC2)cc2sc(C)cc21
InChIInChI=1S/C14H18N2OS/c1-3-6-16-11-7-9(2)18-13(11)8-12(16)14(17)15-10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,17)
InChIKeyKMOLXDNSZIRXIG-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.31
Rot. Bonds4

About N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide

N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42656507) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42656507
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCn1c(C(=O)NC2CC2)cc2sc(C)cc21
InChIInChI=1S/C14H18N2OS/c1-3-6-16-11-7-9(2)18-13(11)8-12(16)14(17)15-10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,17)
InChIKeyKMOLXDNSZIRXIG-UHFFFAOYSA-N
XLogP3.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide (CID 42656507) is N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide is CCCn1c(C(=O)NC2CC2)cc2sc(C)cc21.
What is the InChIKey of N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KMOLXDNSZIRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-6-16-11-7-9(2)18-13(11)8-12(16)14(17)15-10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-propylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42656507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).