N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide

C22H25N5O4S — CID 53064379

IUPACN-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H25N5O4S/c1-16(28)17-5-7-18(8-6-17)23-22(29)11-14-27-21-10-9-19(15-20(21)24-25-27)32(30,31)26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,23,29)
InChIKeyJNUHWUVBRRHCHT-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.84
Rot. Bonds7

About N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide

N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide (PubChem CID 53064379) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
PubChem CID53064379
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C22H25N5O4S/c1-16(28)17-5-7-18(8-6-17)23-22(29)11-14-27-21-10-9-19(15-20(21)24-25-27)32(30,31)26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,23,29)
InChIKeyJNUHWUVBRRHCHT-UHFFFAOYSA-N
XLogP2.84
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064316
N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077608
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
N-(3-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064383
ethyl 3-[3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanoylamino]benzoate
CID 53064394
3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 53064335
N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064382
N-(5-methyl-1,2-oxazol-3-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 46320678
N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53084977
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide (CID 53064379) is N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
The InChIKey is JNUHWUVBRRHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-16(28)17-5-7-18(8-6-17)23-22(29)11-14-27-21-10-9-19(15-20(21)24-25-27)32(30,31)26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,23,29).
What are the key properties of N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide?
N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide has a molecular weight of 455.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide is sourced from PubChem (CID 53064379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).