N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C18H24N4O2S — CID 16614370

IUPACN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCn1c(SC(C)C(=O)NC2CC2)nnc1-c1cccc(C)c1
InChIInChI=1S/C18H24N4O2S/c1-12-5-4-6-14(11-12)16-20-21-18(22(16)9-10-24-3)25-13(2)17(23)19-15-7-8-15/h4-6,11,13,15H,7-10H2,1-3H3,(H,19,23)
InChIKeyDIZYQVKALRFMHL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.66
Rot. Bonds8

About N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 16614370) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID16614370
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCn1c(SC(C)C(=O)NC2CC2)nnc1-c1cccc(C)c1
InChIInChI=1S/C18H24N4O2S/c1-12-5-4-6-14(11-12)16-20-21-18(22(16)9-10-24-3)25-13(2)17(23)19-15-7-8-15/h4-6,11,13,15H,7-10H2,1-3H3,(H,19,23)
InChIKeyDIZYQVKALRFMHL-UHFFFAOYSA-N
XLogP2.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 16614370) is N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is COCCn1c(SC(C)C(=O)NC2CC2)nnc1-c1cccc(C)c1.
What is the InChIKey of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is DIZYQVKALRFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-5-4-6-14(11-12)16-20-21-18(22(16)9-10-24-3)25-13(2)17(23)19-15-7-8-15/h4-6,11,13,15H,7-10H2,1-3H3,(H,19,23).
What are the key properties of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 16614370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).