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

C22H25N5O3S2 — CID 55493371

IUPACN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1cnnc1Sc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25N5O3S2/c1-26-16-23-25-22(26)31-19-9-7-18(8-10-19)24-21(28)15-17-5-11-20(12-6-17)32(29,30)27-13-3-2-4-14-27/h5-12,16H,2-4,13-15H2,1H3,(H,24,28)
InChIKeyMZWYFVAXNGIEPV-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.32
Rot. Bonds7

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

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55493371) has the molecular formula C22H25N5O3S2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55493371
Molecular FormulaC22H25N5O3S2
Molecular Weight471.61 g/mol
Exact Mass471.14
IUPAC NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1cnnc1Sc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25N5O3S2/c1-26-16-23-25-22(26)31-19-9-7-18(8-10-19)24-21(28)15-17-5-11-20(12-6-17)32(29,30)27-13-3-2-4-14-27/h5-12,16H,2-4,13-15H2,1H3,(H,24,28)
InChIKeyMZWYFVAXNGIEPV-UHFFFAOYSA-N
XLogP3.32
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51237890
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55679793
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55493371) is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cn1cnnc1Sc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MZWYFVAXNGIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S2/c1-26-16-23-25-22(26)31-19-9-7-18(8-10-19)24-21(28)15-17-5-11-20(12-6-17)32(29,30)27-13-3-2-4-14-27/h5-12,16H,2-4,13-15H2,1H3,(H,24,28).
What are the key properties of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 471.61 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55493371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).