N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C21H23N3O2S — CID 50842415

IUPACN-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2sc(C)c(C(=O)N3CCCC3)c2[nH]1
InChIInChI=1S/C21H23N3O2S/c1-3-14-8-4-5-9-15(14)23-20(25)16-12-17-19(22-16)18(13(2)27-17)21(26)24-10-6-7-11-24/h4-5,8-9,12,22H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyUKBDYVYYHPIWRO-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.59
Rot. Bonds4

About N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 50842415) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID50842415
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2sc(C)c(C(=O)N3CCCC3)c2[nH]1
InChIInChI=1S/C21H23N3O2S/c1-3-14-8-4-5-9-15(14)23-20(25)16-12-17-19(22-16)18(13(2)27-17)21(26)24-10-6-7-11-24/h4-5,8-9,12,22H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyUKBDYVYYHPIWRO-UHFFFAOYSA-N
XLogP4.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102918
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
4-(azepan-1-yl)-N-(2-ethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847391
4,5-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86963715
2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 49326066
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 50842415) is N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is CCc1ccccc1NC(=O)c1cc2sc(C)c(C(=O)N3CCCC3)c2[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UKBDYVYYHPIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-14-8-4-5-9-15(14)23-20(25)16-12-17-19(22-16)18(13(2)27-17)21(26)24-10-6-7-11-24/h4-5,8-9,12,22H,3,6-7,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 50842415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).