N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide

C21H26N2O4S — CID 76870673

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-5-7-16(4)21(24)22-18-9-8-15(3)20(14-18)28(25,26)23-17-10-12-19(13-11-17)27-6-2/h7-14,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyQRQCWNIVFWEQNK-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.49
Rot. Bonds8

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide (PubChem CID 76870673) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
PubChem CID76870673
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-5-7-16(4)21(24)22-18-9-8-15(3)20(14-18)28(25,26)23-17-10-12-19(13-11-17)27-6-2/h7-14,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyQRQCWNIVFWEQNK-UHFFFAOYSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 60587416
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
trans-(1S,2S)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-nitrocyclopropane-1-carboxamide
CID 51959130
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide (CID 76870673) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide?
The InChIKey is QRQCWNIVFWEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-7-16(4)21(24)22-18-9-8-15(3)20(14-18)28(25,26)23-17-10-12-19(13-11-17)27-6-2/h7-14,23H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide has a molecular weight of 402.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide is sourced from PubChem (CID 76870673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).