N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H33N5O2S — CID 55634015

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(CC)C(CNC(=O)CSc1nncn1C(C)C)N1CCOCC1
InChIInChI=1S/C18H33N5O2S/c1-5-15(6-2)16(22-7-9-25-10-8-22)11-19-17(24)12-26-18-21-20-13-23(18)14(3)4/h13-16H,5-12H2,1-4H3,(H,19,24)
InChIKeyDYMMEHVNGGZEFX-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.20
Rot. Bonds10

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 55634015) has the molecular formula C18H33N5O2S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID55634015
Molecular FormulaC18H33N5O2S
Molecular Weight383.56 g/mol
Exact Mass383.24
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCC(CC)C(CNC(=O)CSc1nncn1C(C)C)N1CCOCC1
InChIInChI=1S/C18H33N5O2S/c1-5-15(6-2)16(22-7-9-25-10-8-22)11-19-17(24)12-26-18-21-20-13-23(18)14(3)4/h13-16H,5-12H2,1-4H3,(H,19,24)
InChIKeyDYMMEHVNGGZEFX-UHFFFAOYSA-N
XLogP2.20
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 83029926
N-(2-hydroxy-3-methylbutyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 115744429
N-(2,3-dihydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 66176836
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 134053148
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
2-(cyclopropylmethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 119841694
N-[(4-hydroxycyclohexyl)methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 106122794
2-methyl-4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid
CID 80539196
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
N-(2-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124445

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 55634015) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCC(CC)C(CNC(=O)CSc1nncn1C(C)C)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DYMMEHVNGGZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2S/c1-5-15(6-2)16(22-7-9-25-10-8-22)11-19-17(24)12-26-18-21-20-13-23(18)14(3)4/h13-16H,5-12H2,1-4H3,(H,19,24).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 383.56 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 55634015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).