(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

C19H25N5O3S — CID 30991883

IUPAC(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2)CC1
InChIInChI=1S/C19H25N5O3S/c1-3-23-10-12-24(13-11-23)28(26,27)18-7-5-17(6-8-18)21-19(25)9-4-16-14-20-22(2)15-16/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,25)/b9-4+
InChIKeyZDWIYIJKRTZQAB-RUDMXATFSA-N
MW403.51 g/mol
LogP1.40
Rot. Bonds6

About (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 30991883) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID30991883
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2)CC1
InChIInChI=1S/C19H25N5O3S/c1-3-23-10-12-24(13-11-23)28(26,27)18-7-5-17(6-8-18)21-19(25)9-4-16-14-20-22(2)15-16/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,25)/b9-4+
InChIKeyZDWIYIJKRTZQAB-RUDMXATFSA-N
XLogP1.40
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.40
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

(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414815
4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43170119
ethyl 4-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]benzoate
CID 1223826
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
CID 49319709
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
3-(4-hydroxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 146421331
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
(Z)-N-(1-ethylindol-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 97456599
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 30991883) is (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2)CC1.
What is the InChIKey of (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZDWIYIJKRTZQAB-RUDMXATFSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-3-23-10-12-24(13-11-23)28(26,27)18-7-5-17(6-8-18)21-19(25)9-4-16-14-20-22(2)15-16/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,25)/b9-4+.
What are the key properties of (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 403.51 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 (E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 30991883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).