2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

C22H26N2OS — CID 3863344

IUPAC2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C22H26N2OS/c1-4-8-19-21(18-11-6-5-9-15(18)2)20(22(23)25)16(3)24(19)13-12-17-10-7-14-26-17/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H2,23,25)
InChIKeyUDEIRXNMQZJNQL-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.13
Rot. Bonds7

About 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide

2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (PubChem CID 3863344) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
PubChem CID3863344
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
SMILESCCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCc1cccs1
InChIInChI=1S/C22H26N2OS/c1-4-8-19-21(18-11-6-5-9-15(18)2)20(22(23)25)16(3)24(19)13-12-17-10-7-14-26-17/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H2,23,25)
InChIKeyUDEIRXNMQZJNQL-UHFFFAOYSA-N
XLogP5.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3508421
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
1-(3-hydroxypropyl)-2-methyl-4-(2-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 4678428
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524
2-methyl-1-(3-methylbutyl)-5-propyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3769669
methyl 3-[4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate
CID 3574299
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide (CID 3863344) is 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is CCCc1c(-c2ccccc2C)c(C(N)=O)c(C)n1CCc1cccs1.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
The InChIKey is UDEIRXNMQZJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-4-8-19-21(18-11-6-5-9-15(18)2)20(22(23)25)16(3)24(19)13-12-17-10-7-14-26-17/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H2,23,25).
What are the key properties of 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide?
2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-5-propyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3863344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).