2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C14H17N3O3S — CID 103855780

IUPAC2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-12(21(3,19)20)6-13(9)14(18)17-10(2)11-7-15-16-8-11/h4-8,10H,1-3H3,(H,15,16)(H,17,18)
InChIKeyHKKFHRXNVVLXPP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103855780) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103855780
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-12(21(3,19)20)6-13(9)14(18)17-10(2)11-7-15-16-8-11/h4-8,10H,1-3H3,(H,15,16)(H,17,18)
InChIKeyHKKFHRXNVVLXPP-UHFFFAOYSA-N
XLogP1.61
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
3-methyl-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856189
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-(4-hydroxy-3-methylbutan-2-yl)-2-methyl-5-methylsulfonylbenzamide
CID 115770731
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103855780) is 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is HKKFHRXNVVLXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-4-5-12(21(3,19)20)6-13(9)14(18)17-10(2)11-7-15-16-8-11/h4-8,10H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 307.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103855780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).