4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

C19H19N3O5S — CID 49396012

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-3-12-20-18(23)13-21-19(24)14-4-10-17(11-5-14)28(25,26)22-15-6-8-16(27-2)9-7-15/h1,4-11,22H,12-13H2,2H3,(H,20,23)(H,21,24)
InChIKeyXBMVYPIQFNRHMV-UHFFFAOYSA-N
MW401.44 g/mol
LogP0.98
Rot. Bonds8

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (PubChem CID 49396012) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
PubChem CID49396012
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N3O5S/c1-3-12-20-18(23)13-21-19(24)14-4-10-17(11-5-14)28(25,26)22-15-6-8-16(27-2)9-7-15/h1,4-11,22H,12-13H2,2H3,(H,20,23)(H,21,24)
InChIKeyXBMVYPIQFNRHMV-UHFFFAOYSA-N
XLogP0.98
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396412
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
4-[(4-ethoxyphenyl)sulfonylamino]-N-[3-oxo-3-(prop-2-ynylamino)propyl]benzamide
CID 55362498
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 41080998
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24683129
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (CID 49396012) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is C#CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The InChIKey is XBMVYPIQFNRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-12-20-18(23)13-21-19(24)14-4-10-17(11-5-14)28(25,26)22-15-6-8-16(27-2)9-7-15/h1,4-11,22H,12-13H2,2H3,(H,20,23)(H,21,24).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is sourced from PubChem (CID 49396012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).