(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C11H17F3N4O3S — CID 129358710

IUPAC(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C11H17F3N4O3S/c1-4-18-6-9(5-15-18)22(20,21)16-10(19)8(2)17(3)7-11(12,13)14/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeySNIXAJIFTICKAW-QMMMGPOBSA-N
MW342.34 g/mol
LogP0.59
Rot. Bonds6

About (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 129358710) has the molecular formula C11H17F3N4O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID129358710
Molecular FormulaC11H17F3N4O3S
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C11H17F3N4O3S/c1-4-18-6-9(5-15-18)22(20,21)16-10(19)8(2)17(3)7-11(12,13)14/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeySNIXAJIFTICKAW-QMMMGPOBSA-N
XLogP0.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
CID 75518066
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylurea
CID 151643438
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71978362
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 129358710) is (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is CCn1cc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)cn1.
What is the InChIKey of (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is SNIXAJIFTICKAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F3N4O3S/c1-4-18-6-9(5-15-18)22(20,21)16-10(19)8(2)17(3)7-11(12,13)14/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1.
What are the key properties of (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 342.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 129358710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).