3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide

C18H18N2O4S — CID 30600851

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C18H18N2O4S/c1-4-12-19-18(21)14-6-5-7-17(13-14)25(22,23)20(2)15-8-10-16(24-3)11-9-15/h1,5-11,13H,12H2,2-3H3,(H,19,21)
InChIKeyLLFHQEYSRYXDHN-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.88
Rot. Bonds6

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide (PubChem CID 30600851) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
PubChem CID30600851
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C18H18N2O4S/c1-4-12-19-18(21)14-6-5-7-17(13-14)25(22,23)20(2)15-8-10-16(24-3)11-9-15/h1,5-11,13H,12H2,2-3H3,(H,19,21)
InChIKeyLLFHQEYSRYXDHN-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide (CID 30600851) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide?
The InChIKey is LLFHQEYSRYXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-4-12-19-18(21)14-6-5-7-17(13-14)25(22,23)20(2)15-8-10-16(24-3)11-9-15/h1,5-11,13H,12H2,2-3H3,(H,19,21).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 30600851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).