N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C19H20N2O5S — CID 46590064

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H20N2O5S/c1-4-10-21-27(23,24)17-7-5-6-14(11-17)19(22)20-13-15-8-9-16(25-2)12-18(15)26-3/h1,5-9,11-12,21H,10,13H2,2-3H3,(H,20,22)
InChIKeyWJPXFYUPLGCRIW-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.55
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 46590064) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID46590064
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H20N2O5S/c1-4-10-21-27(23,24)17-7-5-6-14(11-17)19(22)20-13-15-8-9-16(25-2)12-18(15)26-3/h1,5-9,11-12,21H,10,13H2,2-3H3,(H,20,22)
InChIKeyWJPXFYUPLGCRIW-UHFFFAOYSA-N
XLogP1.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009215
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27018001
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 46590064) is N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is WJPXFYUPLGCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-4-10-21-27(23,24)17-7-5-6-14(11-17)19(22)20-13-15-8-9-16(25-2)12-18(15)26-3/h1,5-9,11-12,21H,10,13H2,2-3H3,(H,20,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 46590064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).