N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide

C15H14N2O2S — CID 136538782

IUPACN-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-11-4-2-10(3-5-11)9-17-15(18)14-8-12-13(20-14)6-7-16-12/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHDSSHCSMQYZFKO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 136538782) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
PubChem CID136538782
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1
InChIInChI=1S/C15H14N2O2S/c1-19-11-4-2-10(3-5-11)9-17-15(18)14-8-12-13(20-14)6-7-16-12/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHDSSHCSMQYZFKO-UHFFFAOYSA-N
XLogP3.17
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 8572592
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 35191855
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
3-(1H-indol-4-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42571035
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 66744013
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 46083095
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9456291

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide (CID 136538782) is N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is COc1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is HDSSHCSMQYZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-11-4-2-10(3-5-11)9-17-15(18)14-8-12-13(20-14)6-7-16-12/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4H-thieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 136538782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).