4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene

C20H25FN4O4S — CID 143263901

IUPAC4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene
SMILESC/C=C(/F)CC.C=C(C)NC(=O)c1[nH]ncc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N4O4S.C5H9F/c1-10(2)17-15(21)14-12(8-16-19-14)18-13(20)9-24(22,23)11-6-4-3-5-7-11;1-3-5(6)4-2/h3-8H,1,9H2,2H3,(H,16,19)(H,17,21)(H,18,20);3H,4H2,1-2H3/b;5-3+
InChIKeyBPCACIHUUOFAOZ-GWDXERMASA-N
MW436.51 g/mol
LogP3.36
Rot. Bonds7

About 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene

4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene (PubChem CID 143263901) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene.

Molecular Properties

Compound Name4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene
PubChem CID143263901
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene
SMILESC/C=C(/F)CC.C=C(C)NC(=O)c1[nH]ncc1NC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N4O4S.C5H9F/c1-10(2)17-15(21)14-12(8-16-19-14)18-13(20)9-24(22,23)11-6-4-3-5-7-11;1-3-5(6)4-2/h3-8H,1,9H2,2H3,(H,16,19)(H,17,21)(H,18,20);3H,4H2,1-2H3/b;5-3+
InChIKeyBPCACIHUUOFAOZ-GWDXERMASA-N
XLogP3.36
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(benzenesulfonyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 67540971
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
CID 2992103
N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 69380891
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
ethyl 4-[2-[[2-(benzenesulfonyl)acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17312299
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 2985129
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene?
The IUPAC name of 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene (CID 143263901) is 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene.
What is the SMILES notation for 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene?
The canonical SMILES for 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene is C/C=C(/F)CC.C=C(C)NC(=O)c1[nH]ncc1NC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene?
The InChIKey is BPCACIHUUOFAOZ-GWDXERMASA-N. The full InChI is InChI=1S/C15H16N4O4S.C5H9F/c1-10(2)17-15(21)14-12(8-16-19-14)18-13(20)9-24(22,23)11-6-4-3-5-7-11;1-3-5(6)4-2/h3-8H,1,9H2,2H3,(H,16,19)(H,17,21)(H,18,20);3H,4H2,1-2H3/b;5-3+.
What are the key properties of 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene?
4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene has a molecular weight of 436.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzenesulfonyl)acetyl]amino]-N-prop-1-en-2-yl-1H-pyrazole-5-carboxamide;(E)-3-fluoropent-2-ene is sourced from PubChem (CID 143263901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).