N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide

C23H27N3O3S — CID 26320099

IUPACN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cn2cccn2)C2CCCC2)cc1OCc1cccs1
InChIInChI=1S/C23H27N3O3S/c1-28-21-10-9-18(14-22(21)29-17-20-8-4-13-30-20)15-26(19-6-2-3-7-19)23(27)16-25-12-5-11-24-25/h4-5,8-14,19H,2-3,6-7,15-17H2,1H3
InChIKeySJPFFBHPOAEJNG-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.50
Rot. Bonds9

About N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide

N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 26320099) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID26320099
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cn2cccn2)C2CCCC2)cc1OCc1cccs1
InChIInChI=1S/C23H27N3O3S/c1-28-21-10-9-18(14-22(21)29-17-20-8-4-13-30-20)15-26(19-6-2-3-7-19)23(27)16-25-12-5-11-24-25/h4-5,8-14,19H,2-3,6-7,15-17H2,1H3
InChIKeySJPFFBHPOAEJNG-UHFFFAOYSA-N
XLogP4.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42451405
N-cyclopentyl-2,5-dimethoxy-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 26354535
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]propanamide
CID 3505750
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60543504
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
CID 8924044
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide (CID 26320099) is N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide is COc1ccc(CN(C(=O)Cn2cccn2)C2CCCC2)cc1OCc1cccs1.
What is the InChIKey of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is SJPFFBHPOAEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-28-21-10-9-18(14-22(21)29-17-20-8-4-13-30-20)15-26(19-6-2-3-7-19)23(27)16-25-12-5-11-24-25/h4-5,8-14,19H,2-3,6-7,15-17H2,1H3.
What are the key properties of N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide?
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 425.55 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 26320099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).