N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C30H34N2O4S — CID 42451405

IUPACN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C2CCCC2)cc1OCc1cccs1
InChIInChI=1S/C30H34N2O4S/c1-35-27-14-13-22(16-28(27)36-21-26-12-7-15-37-26)18-32(25-10-5-6-11-25)30(34)20-31-19-24(17-29(31)33)23-8-3-2-4-9-23/h2-4,7-9,12-16,24-25H,5-6,10-11,17-21H2,1H3/t24-/m1/s1
InChIKeyJPTHYVSGIWFMLQ-XMMPIXPASA-N
MW518.68 g/mol
LogP5.62
Rot. Bonds10

About N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 42451405) has the molecular formula C30H34N2O4S and a molecular weight of 518.68 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID42451405
Molecular FormulaC30H34N2O4S
Molecular Weight518.68 g/mol
Exact Mass518.22
IUPAC NameN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C2CCCC2)cc1OCc1cccs1
InChIInChI=1S/C30H34N2O4S/c1-35-27-14-13-22(16-28(27)36-21-26-12-7-15-37-26)18-32(25-10-5-6-11-25)30(34)20-31-19-24(17-29(31)33)23-8-3-2-4-9-23/h2-4,7-9,12-16,24-25H,5-6,10-11,17-21H2,1H3/t24-/m1/s1
InChIKeyJPTHYVSGIWFMLQ-XMMPIXPASA-N
XLogP5.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 26320099
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 26354535
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
[1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]-phenylmethanone
CID 75438578
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
2-[(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)acetamide
CID 70950341
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 3574890
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 11524672
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272526
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
CID 4235665
N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272771

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 42451405) is N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is COc1ccc(CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C2CCCC2)cc1OCc1cccs1.
What is the InChIKey of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is JPTHYVSGIWFMLQ-XMMPIXPASA-N. The full InChI is InChI=1S/C30H34N2O4S/c1-35-27-14-13-22(16-28(27)36-21-26-12-7-15-37-26)18-32(25-10-5-6-11-25)30(34)20-31-19-24(17-29(31)33)23-8-3-2-4-9-23/h2-4,7-9,12-16,24-25H,5-6,10-11,17-21H2,1H3/t24-/m1/s1.
What are the key properties of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 518.68 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 42451405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).