4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide

C19H22N2OS — CID 46038960

IUPAC4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)c1
InChIInChI=1S/C19H22N2OS/c1-13(2)11-20-19(22)17-10-18-16(7-8-23-18)21(17)12-15-6-4-5-14(3)9-15/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyNCVYRKMIYPKEKQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.45
Rot. Bonds5

About 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide

4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46038960) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46038960
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)c1
InChIInChI=1S/C19H22N2OS/c1-13(2)11-20-19(22)17-10-18-16(7-8-23-18)21(17)12-15-6-4-5-14(3)9-15/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyNCVYRKMIYPKEKQ-UHFFFAOYSA-N
XLogP4.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038838
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-(cyclobutylmethyl)-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039248
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
4-[(3-fluorophenyl)methyl]-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039079
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46038960) is 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is Cc1cccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NCVYRKMIYPKEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13(2)11-20-19(22)17-10-18-16(7-8-23-18)21(17)12-15-6-4-5-14(3)9-15/h4-10,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46038960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).