4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

C21H26N2O3S — CID 42681001

IUPAC4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)c2cccs2)CC1C(=O)NCC(C)C
InChIInChI=1S/C21H26N2O3S/c1-14(2)11-22-20(24)17-13-23(21(25)19-9-6-10-27-19)12-16(17)15-7-4-5-8-18(15)26-3/h4-10,14,16-17H,11-13H2,1-3H3,(H,22,24)
InChIKeyMGWJQJUCNVUEEJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.38
Rot. Bonds6

About 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide

4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 42681001) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID42681001
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(C(=O)c2cccs2)CC1C(=O)NCC(C)C
InChIInChI=1S/C21H26N2O3S/c1-14(2)11-22-20(24)17-13-23(21(25)19-9-6-10-27-19)12-16(17)15-7-4-5-8-18(15)26-3/h4-10,14,16-17H,11-13H2,1-3H3,(H,22,24)
InChIKeyMGWJQJUCNVUEEJ-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-1-(3-methylbutanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42828340
N-cyclopropyl-4-(2-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 42681016
(3R,4S)-4-(2-methoxyphenyl)-1-(2-methylbenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93151778
(3R,4R)-4-(4-fluorophenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93151516
(3R,4R)-N-benzyl-4-(2,3-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152235
4-(2,3-dimethoxyphenyl)-1-(2-methylbenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681155
(3R,4S)-4-(2,3-dimethoxyphenyl)-1-(furan-2-carbonyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93152152
4-(2-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42829638
4-(2,3-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 42681149
(3R,4S)-4-(2,3-dimethoxyphenyl)-1-(4-methoxybenzoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93152164
1-(furan-2-carbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829633
1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829632

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 42681001) is 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is COc1ccccc1C1CN(C(=O)c2cccs2)CC1C(=O)NCC(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is MGWJQJUCNVUEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)11-22-20(24)17-13-23(21(25)19-9-6-10-27-19)12-16(17)15-7-4-5-8-18(15)26-3/h4-10,14,16-17H,11-13H2,1-3H3,(H,22,24).
What are the key properties of 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide?
4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).