N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide

C12H15N3O3S2 — CID 71978362

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CCc2ccsc2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-2-15-8-11(7-13-15)20(17,18)14-12(16)4-3-10-5-6-19-9-10/h5-9H,2-4H2,1H3,(H,14,16)
InChIKeyPSLGYQCJVBGIBB-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.40
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide

N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide (PubChem CID 71978362) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
PubChem CID71978362
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CCc2ccsc2)cn1
InChIInChI=1S/C12H15N3O3S2/c1-2-15-8-11(7-13-15)20(17,18)14-12(16)4-3-10-5-6-19-9-10/h5-9H,2-4H2,1H3,(H,14,16)
InChIKeyPSLGYQCJVBGIBB-UHFFFAOYSA-N
XLogP1.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358
N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71987649
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
1-ethyl-4-(2-thiophen-3-ylethoxy)pyrazole
CID 116804596
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
CID 101377782
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide (CID 71978362) is N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide is CCn1cc(S(=O)(=O)NC(=O)CCc2ccsc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide?
The InChIKey is PSLGYQCJVBGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-2-15-8-11(7-13-15)20(17,18)14-12(16)4-3-10-5-6-19-9-10/h5-9H,2-4H2,1H3,(H,14,16).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71978362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).