N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide

C19H22N2O3S — CID 30937298

IUPACN-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCC[C@H]1c1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H22N2O3S/c1-12(2)21-9-3-4-14(21)17-7-8-18(25-17)19(22)20-13-5-6-15-16(10-13)24-11-23-15/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyIWGNGFMSVOXHRK-AWEZNQCLSA-N
MW358.46 g/mol
LogP4.27
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 30937298) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID30937298
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCC[C@H]1c1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C19H22N2O3S/c1-12(2)21-9-3-4-14(21)17-7-8-18(25-17)19(22)20-13-5-6-15-16(10-13)24-11-23-15/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyIWGNGFMSVOXHRK-AWEZNQCLSA-N
XLogP4.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838819
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
CID 47114542
N-(1,3-benzodioxol-5-yl)-5-[(2R)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070467
N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070942
N-(1,3-benzodioxol-5-yl)-5-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53006707
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
N-(1,3-benzodioxol-5-yl)-5-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072316
N-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2582289
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
CID 45169433
1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
CID 47141802
N-(1,3-benzodioxol-5-yl)-5-[(2R)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071457

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide (CID 30937298) is N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide is CC(C)N1CCC[C@H]1c1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is IWGNGFMSVOXHRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12(2)21-9-3-4-14(21)17-7-8-18(25-17)19(22)20-13-5-6-15-16(10-13)24-11-23-15/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30937298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).