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

C12H16N2OS — CID 3695779

IUPACN-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCNC(=O)c1cc2sccc2n1C
InChIInChI=1S/C12H16N2OS/c1-3-4-6-13-12(15)10-8-11-9(14(10)2)5-7-16-11/h5,7-8H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyAHDHCOUOCMWNML-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.77
Rot. Bonds4

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

N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3695779) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3695779
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCNC(=O)c1cc2sccc2n1C
InChIInChI=1S/C12H16N2OS/c1-3-4-6-13-12(15)10-8-11-9(14(10)2)5-7-16-11/h5,7-8H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyAHDHCOUOCMWNML-UHFFFAOYSA-N
XLogP2.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946
4-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3242210
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
4-methyl-N-(3-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225230
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
4-methyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51043033
N-(2-cyanoethyl)-N,4-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 53015597

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3695779) is N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CCCCNC(=O)c1cc2sccc2n1C.
What is the InChIKey of N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AHDHCOUOCMWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-4-6-13-12(15)10-8-11-9(14(10)2)5-7-16-11/h5,7-8H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3695779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).