2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

C22H20N2O4S — CID 92683033

IUPAC2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-2-16-23-22(25)20-10-6-7-11-21(20)24-29(26,27)19-14-12-18(13-15-19)28-17-8-4-3-5-9-17/h2-15,24H,1,16H2,(H,23,25)
InChIKeyRICCZECXQXKEDO-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.20
Rot. Bonds8

About 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 92683033) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID92683033
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-2-16-23-22(25)20-10-6-7-11-21(20)24-29(26,27)19-14-12-18(13-15-19)28-17-8-4-3-5-9-17/h2-15,24H,1,16H2,(H,23,25)
InChIKeyRICCZECXQXKEDO-UHFFFAOYSA-N
XLogP4.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 46680428
2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 18148183
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
CID 41448837
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 92683033) is 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is RICCZECXQXKEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-2-16-23-22(25)20-10-6-7-11-21(20)24-29(26,27)19-14-12-18(13-15-19)28-17-8-4-3-5-9-17/h2-15,24H,1,16H2,(H,23,25).
What are the key properties of 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 92683033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).