5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C20H24N2OS — CID 53171147

IUPAC5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CC2)C3)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-12-4-7-17(13(2)8-12)14(3)21-20(23)18-9-15-10-22(16-5-6-16)11-19(15)24-18/h4,7-9,14,16H,5-6,10-11H2,1-3H3,(H,21,23)
InChIKeyDJBTYHATHOXYRB-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.33
Rot. Bonds4

About 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171147) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171147
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CC2)C3)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-12-4-7-17(13(2)8-12)14(3)21-20(23)18-9-15-10-22(16-5-6-16)11-19(15)24-18/h4,7-9,14,16H,5-6,10-11H2,1-3H3,(H,21,23)
InChIKeyDJBTYHATHOXYRB-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-cyclopentyl-N-(4-methylphenyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171174
5-cyclopentyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171233
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
5-cyclopentyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 83290816
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171113
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171080
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171147) is 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc3c(s2)CN(C2CC2)C3)c(C)c1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is DJBTYHATHOXYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-12-4-7-17(13(2)8-12)14(3)21-20(23)18-9-15-10-22(16-5-6-16)11-19(15)24-18/h4,7-9,14,16H,5-6,10-11H2,1-3H3,(H,21,23).
What are the key properties of 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2,4-dimethylphenyl)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).