2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C18H21N3O3S — CID 55747594

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccccc2SCC(N)=O)cn1
InChIInChI=1S/C18H21N3O3S/c1-12(2)24-17-8-7-13(9-20-17)10-21-18(23)14-5-3-4-6-15(14)25-11-16(19)22/h3-9,12H,10-11H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyBKHRVHLCLWSXLG-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.38
Rot. Bonds8

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 55747594) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID55747594
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccccc2SCC(N)=O)cn1
InChIInChI=1S/C18H21N3O3S/c1-12(2)24-17-8-7-13(9-20-17)10-21-18(23)14-5-3-4-6-15(14)25-11-16(19)22/h3-9,12H,10-11H2,1-2H3,(H2,19,22)(H,21,23)
InChIKeyBKHRVHLCLWSXLG-UHFFFAOYSA-N
XLogP2.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
2-(2-amino-2-oxoethyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31352349
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55786448
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
CID 55880779
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 55747594) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2ccccc2SCC(N)=O)cn1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is BKHRVHLCLWSXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(2)24-17-8-7-13(9-20-17)10-21-18(23)14-5-3-4-6-15(14)25-11-16(19)22/h3-9,12H,10-11H2,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55747594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).