N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide

C16H21N3O3S — CID 75518066

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)C(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3O3S/c1-4-19-11-15(10-17-19)23(21,22)18-16(20)13(3)9-14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,18,20)
InChIKeyWLIHNNBCLBOXSU-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.90
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide

N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide (PubChem CID 75518066) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
PubChem CID75518066
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)C(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3O3S/c1-4-19-11-15(10-17-19)23(21,22)18-16(20)13(3)9-14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,18,20)
InChIKeyWLIHNNBCLBOXSU-UHFFFAOYSA-N
XLogP1.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129358710
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71978362
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide (CID 75518066) is N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide is CCn1cc(S(=O)(=O)NC(=O)C(C)Cc2ccc(C)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide?
The InChIKey is WLIHNNBCLBOXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-19-11-15(10-17-19)23(21,22)18-16(20)13(3)9-14-7-5-12(2)6-8-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,18,20).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 75518066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).