(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide

C16H16N4O3S — CID 97377835

IUPAC(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
SMILESCn1cc(S(=O)(=O)NC(=O)/C=C\c2cn(C)c3ccccc23)cn1
InChIInChI=1S/C16H16N4O3S/c1-19-10-12(14-5-3-4-6-15(14)19)7-8-16(21)18-24(22,23)13-9-17-20(2)11-13/h3-11H,1-2H3,(H,18,21)/b8-7-
InChIKeyIFJHGUKQNKNGAF-FPLPWBNLSA-N
MW344.40 g/mol
LogP1.43
Rot. Bonds4

About (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide

(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide (PubChem CID 97377835) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
PubChem CID97377835
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
SMILESCn1cc(S(=O)(=O)NC(=O)/C=C\c2cn(C)c3ccccc23)cn1
InChIInChI=1S/C16H16N4O3S/c1-19-10-12(14-5-3-4-6-15(14)19)7-8-16(21)18-24(22,23)13-9-17-20(2)11-13/h3-11H,1-2H3,(H,18,21)/b8-7-
InChIKeyIFJHGUKQNKNGAF-FPLPWBNLSA-N
XLogP1.43
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 71863555
(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 75407110
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
N-(4,6-dimethyl-2-pyridinyl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 67697276
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 86997777
(Z)-1-(4-bromophenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 34882734
N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 99819528
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949
methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
CID 56801259
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
(E)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359986

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide?
The IUPAC name of (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide (CID 97377835) is (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide.
What is the SMILES notation for (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide?
The canonical SMILES for (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide is Cn1cc(S(=O)(=O)NC(=O)/C=C\c2cn(C)c3ccccc23)cn1.
What is the InChIKey of (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide?
The InChIKey is IFJHGUKQNKNGAF-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-19-10-12(14-5-3-4-6-15(14)19)7-8-16(21)18-24(22,23)13-9-17-20(2)11-13/h3-11H,1-2H3,(H,18,21)/b8-7-.
What are the key properties of (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide?
(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide has a molecular weight of 344.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide is sourced from PubChem (CID 97377835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).