N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C17H20N2O3S — CID 20895956

IUPACN-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2cccs2)cc(OC)c1
InChIInChI=1S/C17H20N2O3S/c1-21-13-9-12(10-14(11-13)22-2)18-17(20)19-7-3-5-15(19)16-6-4-8-23-16/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,18,20)
InChIKeyRCOVKKCSLIQUTD-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.13
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 20895956) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID20895956
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2cccs2)cc(OC)c1
InChIInChI=1S/C17H20N2O3S/c1-21-13-9-12(10-14(11-13)22-2)18-17(20)19-7-3-5-15(19)16-6-4-8-23-16/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,18,20)
InChIKeyRCOVKKCSLIQUTD-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95238632
(2R)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 52766431
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 20895956) is N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2c2cccs2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is RCOVKKCSLIQUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-13-9-12(10-14(11-13)22-2)18-17(20)19-7-3-5-15(19)16-6-4-8-23-16/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 20895956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).