N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

C16H21N5O4S — CID 110335718

IUPACN-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H21N5O4S/c1-10-16(11(2)20-19-10)26(24,25)21(4)9-15(23)18-14-7-5-13(6-8-14)17-12(3)22/h5-8H,9H2,1-4H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyVXFYQZCKUZLUOK-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.24
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 110335718) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID110335718
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC NameN-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C16H21N5O4S/c1-10-16(11(2)20-19-10)26(24,25)21(4)9-15(23)18-14-7-5-13(6-8-14)17-12(3)22/h5-8H,9H2,1-4H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyVXFYQZCKUZLUOK-UHFFFAOYSA-N
XLogP1.24
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
CID 113095048
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 110335720
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335734
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061867
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (CID 110335718) is N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is VXFYQZCKUZLUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-10-16(11(2)20-19-10)26(24,25)21(4)9-15(23)18-14-7-5-13(6-8-14)17-12(3)22/h5-8H,9H2,1-4H3,(H,17,22)(H,18,23)(H,19,20).
What are the key properties of N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 379.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 110335718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).