N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C17H18N2O5S — CID 137353879

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-4-17(20)18-12-5-8-14(9-6-12)25(21,22)19-15-11-13(23-2)7-10-16(15)24-3/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeySOXPERSPXCYAKB-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.63
Rot. Bonds7

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 137353879) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID137353879
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-4-17(20)18-12-5-8-14(9-6-12)25(21,22)19-15-11-13(23-2)7-10-16(15)24-3/h4-11,19H,1H2,2-3H3,(H,18,20)
InChIKeySOXPERSPXCYAKB-UHFFFAOYSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.63
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

4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 104143
N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
N-{4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl}acetamide
CID 1118248
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
1-(3-Propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179484
Rac1-IN-5
CID 2198266
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 137353879) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is SOXPERSPXCYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-4-17(20)18-12-5-8-14(9-6-12)25(21,22)19-15-11-13(23-2)7-10-16(15)24-3/h4-11,19H,1H2,2-3H3,(H,18,20).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 362.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 137353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).