1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide

C19H27N3O3S — CID 156606944

IUPAC1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccc(CC)s2)CN1C(=O)C1CCC1
InChIInChI=1S/C19H27N3O3S/c1-3-14-8-9-16(26-14)18(24)21-13-10-15(17(23)20-4-2)22(11-13)19(25)12-6-5-7-12/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYSQOAAXDCBFAST-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.95
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide

1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide (PubChem CID 156606944) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
PubChem CID156606944
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccc(CC)s2)CN1C(=O)C1CCC1
InChIInChI=1S/C19H27N3O3S/c1-3-14-8-9-16(26-14)18(24)21-13-10-15(17(23)20-4-2)22(11-13)19(25)12-6-5-7-12/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYSQOAAXDCBFAST-UHFFFAOYSA-N
XLogP1.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
CID 106366958
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide
CID 72918152
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72917004
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72861682
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
(2S,4R)-1-cyclopentyl-N-ethyl-4-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]pyrrolidine-2-carboxamide
CID 72890501
2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759881

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide (CID 156606944) is 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)c2ccc(CC)s2)CN1C(=O)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is YSQOAAXDCBFAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-14-8-9-16(26-14)18(24)21-13-10-15(17(23)20-4-2)22(11-13)19(25)12-6-5-7-12/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide?
1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156606944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).