N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C16H21N5O4S — CID 122561933

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc(C)n3)CC2)cc1
InChIInChI=1S/C16H21N5O4S/c1-12-3-5-14(6-4-12)26(23,24)21-9-7-20(8-10-21)16(22)17-11-15-18-13(2)25-19-15/h3-6H,7-11H2,1-2H3,(H,17,22)
InChIKeyLCHUIWZZVUJTTP-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.90
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 122561933) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID122561933
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc(C)n3)CC2)cc1
InChIInChI=1S/C16H21N5O4S/c1-12-3-5-14(6-4-12)26(23,24)21-9-7-20(8-10-21)16(22)17-11-15-18-13(2)25-19-15/h3-6H,7-11H2,1-2H3,(H,17,22)
InChIKeyLCHUIWZZVUJTTP-UHFFFAOYSA-N
XLogP0.90
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
3-(4-aminopiperidin-1-yl)sulfonyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 77092552
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 99787380
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 131922852
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
4-(benzenesulfonyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide
CID 108893148
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55499668
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 122561933) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc(C)n3)CC2)cc1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is LCHUIWZZVUJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-12-3-5-14(6-4-12)26(23,24)21-9-7-20(8-10-21)16(22)17-11-15-18-13(2)25-19-15/h3-6H,7-11H2,1-2H3,(H,17,22).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 122561933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).