2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide

C22H26N2O5S — CID 55715976

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2SCC(N)=O)ccc1OCC1CCCO1
InChIInChI=1S/C22H26N2O5S/c1-27-19-11-15(8-9-18(19)29-13-16-5-4-10-28-16)12-24-22(26)17-6-2-3-7-20(17)30-14-21(23)25/h2-3,6-9,11,16H,4-5,10,12-14H2,1H3,(H2,23,25)(H,24,26)
InChIKeyIXNLRUOJVOAYHC-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.76
Rot. Bonds10

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55715976) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55715976
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2SCC(N)=O)ccc1OCC1CCCO1
InChIInChI=1S/C22H26N2O5S/c1-27-19-11-15(8-9-18(19)29-13-16-5-4-10-28-16)12-24-22(26)17-6-2-3-7-20(17)30-14-21(23)25/h2-3,6-9,11,16H,4-5,10,12-14H2,1H3,(H2,23,25)(H,24,26)
InChIKeyIXNLRUOJVOAYHC-UHFFFAOYSA-N
XLogP2.76
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
N-[2-(2-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 46562523
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
2-(4-tert-butylphenyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 55707193
5-ethoxy-4-methoxy-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-nitrobenzamide
CID 55708025

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide (CID 55715976) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is COc1cc(CNC(=O)c2ccccc2SCC(N)=O)ccc1OCC1CCCO1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is IXNLRUOJVOAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-27-19-11-15(8-9-18(19)29-13-16-5-4-10-28-16)12-24-22(26)17-6-2-3-7-20(17)30-14-21(23)25/h2-3,6-9,11,16H,4-5,10,12-14H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55715976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).