N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C22H25N5O3S — CID 55825158

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)n[nH]1
InChIInChI=1S/C22H25N5O3S/c1-16-23-22(26-25-16)18-6-5-7-19(15-18)24-21(28)14-17-8-10-20(11-9-17)31(29,30)27-12-3-2-4-13-27/h5-11,15H,2-4,12-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyXCEFTWILRIEKPC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.14
Rot. Bonds6

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55825158) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55825158
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)n[nH]1
InChIInChI=1S/C22H25N5O3S/c1-16-23-22(26-25-16)18-6-5-7-19(15-18)24-21(28)14-17-8-10-20(11-9-17)31(29,30)27-12-3-2-4-13-27/h5-11,15H,2-4,12-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyXCEFTWILRIEKPC-UHFFFAOYSA-N
XLogP3.14
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55566421
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55748941
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55945657

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55825158) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1nc(-c2cccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XCEFTWILRIEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-23-22(26-25-16)18-6-5-7-19(15-18)24-21(28)14-17-8-10-20(11-9-17)31(29,30)27-12-3-2-4-13-27/h5-11,15H,2-4,12-14H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55825158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).