N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C16H16N2O2S — CID 3225290

IUPACN-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3sccc3n2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-18-13-7-8-21-15(13)9-14(18)16(19)17-10-11-3-5-12(20-2)6-4-11/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyOPIFBUAGRWDPHQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225290) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225290
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3sccc3n2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-18-13-7-8-21-15(13)9-14(18)16(19)17-10-11-3-5-12(20-2)6-4-11/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyOPIFBUAGRWDPHQ-UHFFFAOYSA-N
XLogP3.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225290) is N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(CNC(=O)c2cc3sccc3n2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OPIFBUAGRWDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18-13-7-8-21-15(13)9-14(18)16(19)17-10-11-3-5-12(20-2)6-4-11/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).