N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide

C18H22N2O3S — CID 96568851

IUPACN-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3ccsc3)C2)c1
InChIInChI=1S/C18H22N2O3S/c1-19(18(21)13-5-7-24-12-13)14-4-6-20(11-14)15-8-16(22-2)10-17(9-15)23-3/h5,7-10,12,14H,4,6,11H2,1-3H3/t14-/m1/s1
InChIKeyBZPCDYCWEYGQBB-CQSZACIVSA-N
MW346.45 g/mol
LogP3.12
Rot. Bonds5

About N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide

N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide (PubChem CID 96568851) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
PubChem CID96568851
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCOc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3ccsc3)C2)c1
InChIInChI=1S/C18H22N2O3S/c1-19(18(21)13-5-7-24-12-13)14-4-6-20(11-14)15-8-16(22-2)10-17(9-15)23-3/h5,7-10,12,14H,4,6,11H2,1-3H3/t14-/m1/s1
InChIKeyBZPCDYCWEYGQBB-CQSZACIVSA-N
XLogP3.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 71863951
N-[(3S)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylpyrimidin-2-amine
CID 96525946
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxy-N-methylpyrimidin-2-amine
CID 133356607
(3R)-1-(3,5-dimethoxyphenyl)-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-amine
CID 96569478
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981305
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 81089849
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133428769

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide (CID 96568851) is N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide is COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3ccsc3)C2)c1.
What is the InChIKey of N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
The InChIKey is BZPCDYCWEYGQBB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19(18(21)13-5-7-24-12-13)14-4-6-20(11-14)15-8-16(22-2)10-17(9-15)23-3/h5,7-10,12,14H,4,6,11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide?
N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 96568851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).