N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide

C17H23N5O4S — CID 113061867

IUPACN-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCNS(=O)(=O)c2c(C)n[nH]c2C)C(C)=O)cc1
InChIInChI=1S/C17H23N5O4S/c1-11-17(12(2)21-20-11)27(25,26)18-9-10-22(14(4)24)16-7-5-15(6-8-16)19-13(3)23/h5-8,18H,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyFEYAGOMVZJYXEZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.32
Rot. Bonds7

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

N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide (PubChem CID 113061867) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
PubChem CID113061867
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CCNS(=O)(=O)c2c(C)n[nH]c2C)C(C)=O)cc1
InChIInChI=1S/C17H23N5O4S/c1-11-17(12(2)21-20-11)27(25,26)18-9-10-22(14(4)24)16-7-5-15(6-8-16)19-13(3)23/h5-8,18H,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyFEYAGOMVZJYXEZ-UHFFFAOYSA-N
XLogP1.32
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058066
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113063092
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
CID 113095048
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide (CID 113061867) is N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CCNS(=O)(=O)c2c(C)n[nH]c2C)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide?
The InChIKey is FEYAGOMVZJYXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-11-17(12(2)21-20-11)27(25,26)18-9-10-22(14(4)24)16-7-5-15(6-8-16)19-13(3)23/h5-8,18H,9-10H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide?
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide is sourced from PubChem (CID 113061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).