2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide

C25H29N5O2S — CID 24601815

IUPAC2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide
SMILESO=C(CSc1nnc(N2CCOCC2)n1C1CC1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N5O2S/c31-23(26-22(20-9-5-2-6-10-20)17-19-7-3-1-4-8-19)18-33-25-28-27-24(30(25)21-11-12-21)29-13-15-32-16-14-29/h1-10,21-22H,11-18H2,(H,26,31)
InChIKeyIQIRYVOCSOKNQC-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.64
Rot. Bonds9

About 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide

2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide (PubChem CID 24601815) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide
PubChem CID24601815
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide
SMILESO=C(CSc1nnc(N2CCOCC2)n1C1CC1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N5O2S/c31-23(26-22(20-9-5-2-6-10-20)17-19-7-3-1-4-8-19)18-33-25-28-27-24(30(25)21-11-12-21)29-13-15-32-16-14-29/h1-10,21-22H,11-18H2,(H,26,31)
InChIKeyIQIRYVOCSOKNQC-UHFFFAOYSA-N
XLogP3.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 16585754
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 42158340
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 43411562
N-[(2-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134117
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyphenyl)acetamide
CID 16585702
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16585681
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 24591459
N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16585685
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8723611
N-benzyl-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16586445
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16585751

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide (CID 24601815) is 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide is O=C(CSc1nnc(N2CCOCC2)n1C1CC1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide?
The InChIKey is IQIRYVOCSOKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c31-23(26-22(20-9-5-2-6-10-20)17-19-7-3-1-4-8-19)18-33-25-28-27-24(30(25)21-11-12-21)29-13-15-32-16-14-29/h1-10,21-22H,11-18H2,(H,26,31).
What are the key properties of 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide?
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide has a molecular weight of 463.61 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide is sourced from PubChem (CID 24601815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).