N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide

C18H22N2O4S2 — CID 4810921

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C=Cc2cccs2)c1
InChIInChI=1S/C18H22N2O4S2/c1-4-20(5-2)26(22,23)15-9-10-17(24-3)16(13-15)19-18(21)11-8-14-7-6-12-25-14/h6-13H,4-5H2,1-3H3,(H,19,21)
InChIKeyALCPTTIQNABNPQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.44
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 4810921) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID4810921
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C=Cc2cccs2)c1
InChIInChI=1S/C18H22N2O4S2/c1-4-20(5-2)26(22,23)15-9-10-17(24-3)16(13-15)19-18(21)11-8-14-7-6-12-25-14/h6-13H,4-5H2,1-3H3,(H,19,21)
InChIKeyALCPTTIQNABNPQ-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6043889
(E)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19185169
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40985026
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide (CID 4810921) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C=Cc2cccs2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ALCPTTIQNABNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-4-20(5-2)26(22,23)15-9-10-17(24-3)16(13-15)19-18(21)11-8-14-7-6-12-25-14/h6-13H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 394.52 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4810921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).