N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide

C19H20N4O2S — CID 644957

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
SMILESCc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3
InChIInChI=1S/C19H20N4O2S/c1-11-7-8-14-13-5-3-4-6-15(13)19(20-16(14)9-11)26-10-17(24)21-18-12(2)22-25-23-18/h7-9H,3-6,10H2,1-2H3,(H,21,23,24)
InChIKeyXJBPFAGCSWMUMZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.84
Rot. Bonds4

About N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide (PubChem CID 644957) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
PubChem CID644957
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide
SMILESCc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3
InChIInChI=1S/C19H20N4O2S/c1-11-7-8-14-13-5-3-4-6-15(13)19(20-16(14)9-11)26-10-17(24)21-18-12(2)22-25-23-18/h7-9H,3-6,10H2,1-2H3,(H,21,23,24)
InChIKeyXJBPFAGCSWMUMZ-UHFFFAOYSA-N
XLogP3.84
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide (CID 644957) is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide is Cc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
The InChIKey is XJBPFAGCSWMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-7-8-14-13-5-3-4-6-15(13)19(20-16(14)9-11)26-10-17(24)21-18-12(2)22-25-23-18/h7-9H,3-6,10H2,1-2H3,(H,21,23,24).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[(3-methyl-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).