N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide

C29H32N2O4S — CID 42406053

IUPACN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)CSc2ccccn2)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C29H32N2O4S/c1-33-27-15-21(11-12-26(27)35-25-16-22-7-2-3-8-23(22)17-25)18-31(19-24-9-6-14-34-24)29(32)20-36-28-10-4-5-13-30-28/h2-5,7-8,10-13,15,24-25H,6,9,14,16-20H2,1H3/t24-/m1/s1
InChIKeyMWXFYFZIBRLZOJ-XMMPIXPASA-N
MW504.65 g/mol
LogP4.94
Rot. Bonds10

About N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 42406053) has the molecular formula C29H32N2O4S and a molecular weight of 504.65 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID42406053
Molecular FormulaC29H32N2O4S
Molecular Weight504.65 g/mol
Exact Mass504.21
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)CSc2ccccn2)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C29H32N2O4S/c1-33-27-15-21(11-12-26(27)35-25-16-22-7-2-3-8-23(22)17-25)18-31(19-24-9-6-14-34-24)29(32)20-36-28-10-4-5-13-30-28/h2-5,7-8,10-13,15,24-25H,6,9,14,16-20H2,1H3/t24-/m1/s1
InChIKeyMWXFYFZIBRLZOJ-XMMPIXPASA-N
XLogP4.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide with MolForge

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Related Compounds

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45199784
(E)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26353993
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45235774
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3224942
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202301
N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202300
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26084829
(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 42485472
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 55969031
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 26343215

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide (CID 42406053) is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide is COc1cc(CN(C[C@H]2CCCO2)C(=O)CSc2ccccn2)ccc1OC1Cc2ccccc2C1.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MWXFYFZIBRLZOJ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H32N2O4S/c1-33-27-15-21(11-12-26(27)35-25-16-22-7-2-3-8-23(22)17-25)18-31(19-24-9-6-14-34-24)29(32)20-36-28-10-4-5-13-30-28/h2-5,7-8,10-13,15,24-25H,6,9,14,16-20H2,1H3/t24-/m1/s1.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide?
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 504.65 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 42406053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).