N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C24H28N6O4S — CID 55679793

IUPACN-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)n1cncn1
InChIInChI=1S/C24H28N6O4S/c1-18(30-17-25-16-26-30)24(32)28-21-9-7-20(8-10-21)27-23(31)15-19-5-11-22(12-6-19)35(33,34)29-13-3-2-4-14-29/h5-12,16-18H,2-4,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFLINBRGMVPIPGW-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.83
Rot. Bonds8

About N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 55679793) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID55679793
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)n1cncn1
InChIInChI=1S/C24H28N6O4S/c1-18(30-17-25-16-26-30)24(32)28-21-9-7-20(8-10-21)27-23(31)15-19-5-11-22(12-6-19)35(33,34)29-13-3-2-4-14-29/h5-12,16-18H,2-4,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFLINBRGMVPIPGW-UHFFFAOYSA-N
XLogP2.83
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Related Compounds

2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064691
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134012322
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51237890
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55493371

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 55679793) is N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)n1cncn1.
What is the InChIKey of N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FLINBRGMVPIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-18(30-17-25-16-26-30)24(32)28-21-9-7-20(8-10-21)27-23(31)15-19-5-11-22(12-6-19)35(33,34)29-13-3-2-4-14-29/h5-12,16-18H,2-4,13-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 496.59 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 55679793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).