N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C16H23N3OS — CID 53139876

IUPACN-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)NC3CCCC3)c(CN(C)C)c2s1
InChIInChI=1S/C16H23N3OS/c1-10-8-13-15(21-10)12(9-19(2)3)14(18-13)16(20)17-11-6-4-5-7-11/h8,11,18H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyXRNDWSHYMRFAEA-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.27
Rot. Bonds4

About N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139876) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139876
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)NC3CCCC3)c(CN(C)C)c2s1
InChIInChI=1S/C16H23N3OS/c1-10-8-13-15(21-10)12(9-19(2)3)14(18-13)16(20)17-11-6-4-5-7-11/h8,11,18H,4-7,9H2,1-3H3,(H,17,20)
InChIKeyXRNDWSHYMRFAEA-UHFFFAOYSA-N
XLogP3.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139876) is N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)NC3CCCC3)c(CN(C)C)c2s1.
What is the InChIKey of N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XRNDWSHYMRFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10-8-13-15(21-10)12(9-19(2)3)14(18-13)16(20)17-11-6-4-5-7-11/h8,11,18H,4-7,9H2,1-3H3,(H,17,20).
What are the key properties of N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).