(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H16N2O5S — CID 896697

IUPAC(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-3-6-14(23-11)7-10-16(20)17-13-4-8-15(9-5-13)24(21,22)18-12(2)19/h3-10H,1-2H3,(H,17,20)(H,18,19)/b10-7+
InChIKeySAJPRXMLKBKOLO-JXMROGBWSA-N
MW348.38 g/mol
LogP2.06
Rot. Bonds5

About (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 896697) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID896697
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-3-6-14(23-11)7-10-16(20)17-13-4-8-15(9-5-13)24(21,22)18-12(2)19/h3-10H,1-2H3,(H,17,20)(H,18,19)/b10-7+
InChIKeySAJPRXMLKBKOLO-JXMROGBWSA-N
XLogP2.06
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Furan-2-yl-N-(4-sulfamoylphenyl)acrylamide
CID 768666
N-[4-({(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}sulfonyl)phenyl]acetamide
CID 9655953
(2E)-3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712926
(2E)-2-cyano-3-(2-furyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
[2-Oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}furan-2-carboxamide
CID 649025
Sulfanilamide, N(sup 4)-furfuryl-
CID 3059601
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-2-phenoxy-acetamide
CID 652012
N-[4-(1-azepanylsulfonyl)phenyl]-2-furamide
CID 671037
3-(5-ethylfuran-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 829894

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 896697) is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1.
What is the InChIKey of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is SAJPRXMLKBKOLO-JXMROGBWSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-3-6-14(23-11)7-10-16(20)17-13-4-8-15(9-5-13)24(21,22)18-12(2)19/h3-10H,1-2H3,(H,17,20)(H,18,19)/b10-7+.
What are the key properties of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 348.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 896697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).