N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C17H18N2O4S — CID 167768510

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-17(20)18-13-7-11-16(12-8-13)24(21,22)19-14-5-9-15(10-6-14)23-4-2/h3,5-12,19H,1,4H2,2H3,(H,18,20)
InChIKeyCMSNVORKZHMGHT-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 167768510) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID167768510
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-17(20)18-13-7-11-16(12-8-13)24(21,22)19-14-5-9-15(10-6-14)23-4-2/h3,5-12,19H,1,4H2,2H3,(H,18,20)
InChIKeyCMSNVORKZHMGHT-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.01
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

ethyl 4-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 3367532
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
dimethyl (E)-2-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168568435

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 167768510) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is CMSNVORKZHMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-17(20)18-13-7-11-16(12-8-13)24(21,22)19-14-5-9-15(10-6-14)23-4-2/h3,5-12,19H,1,4H2,2H3,(H,18,20).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 346.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167768510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).