N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

C24H34N2O2S — CID 42870331

IUPACN-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1C1CN(Cc2cccs2)CC1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C24H34N2O2S/c1-17(2)24(27)26(18(3)4)14-19-13-25(15-20-9-8-12-29-20)16-22(19)21-10-6-7-11-23(21)28-5/h6-12,17-19,22H,13-16H2,1-5H3
InChIKeyCYCBWTMYURPIGG-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.87
Rot. Bonds8

About N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 42870331) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID42870331
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC NameN-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1C1CN(Cc2cccs2)CC1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C24H34N2O2S/c1-17(2)24(27)26(18(3)4)14-19-13-25(15-20-9-8-12-29-20)16-22(19)21-10-6-7-11-23(21)28-5/h6-12,17-19,22H,13-16H2,1-5H3
InChIKeyCYCBWTMYURPIGG-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870210
4-fluoro-N-[[(3S,4S)-4-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992519
N-[[1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870295
N-[[(3R,4S)-4-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992585
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42869979
N-[[4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870209
1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 124948906
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108578554
4-fluoro-N-[[1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42847815
N-[[4-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42864103
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 67782895
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (CID 42870331) is N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is COc1ccccc1C1CN(Cc2cccs2)CC1CN(C(=O)C(C)C)C(C)C.
What is the InChIKey of N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is CYCBWTMYURPIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-17(2)24(27)26(18(3)4)14-19-13-25(15-20-9-8-12-29-20)16-22(19)21-10-6-7-11-23(21)28-5/h6-12,17-19,22H,13-16H2,1-5H3.
What are the key properties of N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 414.62 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42870331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).