N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide

C15H20N4O3S — CID 134704812

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCc1c(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cnn1C
InChIInChI=1S/C15H20N4O3S/c1-11-14(10-16-18(11)3)17-15(20)12(2)19(23(4,21)22)13-8-6-5-7-9-13/h5-10,12H,1-4H3,(H,17,20)
InChIKeyAAYKRNCUUXDMCS-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.52
Rot. Bonds5

About N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide

N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 134704812) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID134704812
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCc1c(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cnn1C
InChIInChI=1S/C15H20N4O3S/c1-11-14(10-16-18(11)3)17-15(20)12(2)19(23(4,21)22)13-8-6-5-7-9-13/h5-10,12H,1-4H3,(H,17,20)
InChIKeyAAYKRNCUUXDMCS-UHFFFAOYSA-N
XLogP1.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134702896
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 2912654
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 162627637
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide (CID 134704812) is N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide is Cc1c(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is AAYKRNCUUXDMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-14(10-16-18(11)3)17-15(20)12(2)19(23(4,21)22)13-8-6-5-7-9-13/h5-10,12H,1-4H3,(H,17,20).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide?
N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 134704812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).