N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C20H29N5O5S — CID 121117449

IUPACN-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H29N5O5S/c1-4-24-19(22-25(20(24)27)13-14-30-3)16-9-11-23(12-10-16)31(28,29)18-7-5-17(6-8-18)21-15(2)26/h5-8,16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyYMKSUOSPVRVAOQ-UHFFFAOYSA-N
MW451.55 g/mol
LogP1.24
Rot. Bonds8

About N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 121117449) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID121117449
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC NameN-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCCn1c(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C20H29N5O5S/c1-4-24-19(22-25(20(24)27)13-14-30-3)16-9-11-23(12-10-16)31(28,29)18-7-5-17(6-8-18)21-15(2)26/h5-8,16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyYMKSUOSPVRVAOQ-UHFFFAOYSA-N
XLogP1.24
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-(benzenesulfonyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 71793712
N-(3,4-dichlorophenyl)-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115307
5-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121117486
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-phenylacetamide
CID 121118093
4-ethyl-2-(2-methoxyethyl)-5-[1-[2-(4-nitrophenyl)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115211
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115193
5-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115268
4-ethyl-2-(2-methoxyethyl)-5-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 71793165
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
2-benzyl-5-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121117527
2-benzyl-5-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121117551
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 121117449) is N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CCn1c(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nn(CCOC)c1=O.
What is the InChIKey of N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is YMKSUOSPVRVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-4-24-19(22-25(20(24)27)13-14-30-3)16-9-11-23(12-10-16)31(28,29)18-7-5-17(6-8-18)21-15(2)26/h5-8,16H,4,9-14H2,1-3H3,(H,21,26).
What are the key properties of N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 121117449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).