N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide

C8H14N4O3S — CID 47267535

IUPACN-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-3-9-8(13)6(2)12-16(14,15)7-4-10-11-5-7/h4-6,12H,3H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyZEELRSGCTLFRQG-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.79
Rot. Bonds5

About N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide

N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide (PubChem CID 47267535) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
PubChem CID47267535
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-3-9-8(13)6(2)12-16(14,15)7-4-10-11-5-7/h4-6,12H,3H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyZEELRSGCTLFRQG-UHFFFAOYSA-N
XLogP-0.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47268119
N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60958755
N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
CID 70537397
2-(propylsulfonylamino)-N-(1H-pyrazol-4-yl)propanamide
CID 43540400
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
N-cyclopropyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
CID 47265885
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
N-methyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267378
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
N-cyclopropyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267388
N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47267399
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 47267411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The IUPAC name of N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide (CID 47267535) is N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The canonical SMILES for N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide is CCNC(=O)C(C)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The InChIKey is ZEELRSGCTLFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-3-9-8(13)6(2)12-16(14,15)7-4-10-11-5-7/h4-6,12H,3H2,1-2H3,(H,9,13)(H,10,11).
What are the key properties of N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide?
N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide has a molecular weight of 246.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide is sourced from PubChem (CID 47267535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).