N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

C18H20N2O3S — CID 53191392

IUPACN-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cn(C(C)C)cc3s2)cc1OC
InChIInChI=1S/C18H20N2O3S/c1-11(2)20-9-12-7-16(24-17(12)10-20)18(21)19-13-5-6-14(22-3)15(8-13)23-4/h5-11H,1-4H3,(H,19,21)
InChIKeyAYOIFTDEFPTKJO-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.55
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191392) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191392
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cn(C(C)C)cc3s2)cc1OC
InChIInChI=1S/C18H20N2O3S/c1-11(2)20-9-12-7-16(24-17(12)10-20)18(21)19-13-5-6-14(22-3)15(8-13)23-4/h5-11H,1-4H3,(H,19,21)
InChIKeyAYOIFTDEFPTKJO-UHFFFAOYSA-N
XLogP4.55
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 35348384
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719
(3,4-dimethoxyphenyl)urea
CID 21197430
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191392) is N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cc3cn(C(C)C)cc3s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is AYOIFTDEFPTKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11(2)20-9-12-7-16(24-17(12)10-20)18(21)19-13-5-6-14(22-3)15(8-13)23-4/h5-11H,1-4H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).