N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide

C15H21N5O3S — CID 113055517

IUPACN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)n[nH]c1C)Cc1ccncc1
InChIInChI=1S/C15H21N5O3S/c1-11-15(12(2)19-18-11)24(22,23)17-8-9-20(13(3)21)10-14-4-6-16-7-5-14/h4-7,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyXCEGOPFGHOZVMV-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.75
Rot. Bonds7

About N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide

N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113055517) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113055517
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)n[nH]c1C)Cc1ccncc1
InChIInChI=1S/C15H21N5O3S/c1-11-15(12(2)19-18-11)24(22,23)17-8-9-20(13(3)21)10-14-4-6-16-7-5-14/h4-7,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyXCEGOPFGHOZVMV-UHFFFAOYSA-N
XLogP0.75
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide 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-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061867
N-(3,5-dimethylphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058066
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055521
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113066614
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113063092
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113055517) is N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)n[nH]c1C)Cc1ccncc1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XCEGOPFGHOZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-15(12(2)19-18-11)24(22,23)17-8-9-20(13(3)21)10-14-4-6-16-7-5-14/h4-7,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113055517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).