N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

C23H32N2O3S — CID 42869975

IUPACN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(C)s2)CC1c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C23H32N2O3S/c1-17-8-9-22(29-17)15-24-13-20(14-25(18(2)26)10-11-27-3)23(16-24)19-6-5-7-21(12-19)28-4/h5-9,12,20,23H,10-11,13-16H2,1-4H3
InChIKeyDRFHTSUYQPDGRR-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.78
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 42869975) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID42869975
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOCCN(CC1CN(Cc2ccc(C)s2)CC1c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C23H32N2O3S/c1-17-8-9-22(29-17)15-24-13-20(14-25(18(2)26)10-11-27-3)23(16-24)19-6-5-7-21(12-19)28-4/h5-9,12,20,23H,10-11,13-16H2,1-4H3
InChIKeyDRFHTSUYQPDGRR-UHFFFAOYSA-N
XLogP3.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870031
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42869972
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 42869979
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
2-methoxy-N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidin-3-yl]methyl]acetamide
CID 42869982
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
N-(2-methoxyethyl)-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 42870028
N-[[1-benzyl-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42847844
N-[[(3S,4R)-4-(3-methoxyphenyl)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446905
4-fluoro-N-[[4-(4-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46063028
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385
N-[[1-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42869969

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 42869975) is N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is COCCN(CC1CN(Cc2ccc(C)s2)CC1c1cccc(OC)c1)C(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is DRFHTSUYQPDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-17-8-9-22(29-17)15-24-13-20(14-25(18(2)26)10-11-27-3)23(16-24)19-6-5-7-21(12-19)28-4/h5-9,12,20,23H,10-11,13-16H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 416.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[4-(3-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 42869975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).