N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

C16H18N2O4S — CID 139950958

IUPACN-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)17-14-5-9-16(10-6-14)23(21,22)18(2)11-13-3-7-15(20)8-4-13/h3-10,20H,11H2,1-2H3,(H,17,19)
InChIKeyXUVFWSSRABBQCR-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.17
Rot. Bonds5

About N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 139950958) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID139950958
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)17-14-5-9-16(10-6-14)23(21,22)18(2)11-13-3-7-15(20)8-4-13/h3-10,20H,11H2,1-2H3,(H,17,19)
InChIKeyXUVFWSSRABBQCR-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
bis[[(4-acetamidophenyl)sulfonyl-methylamino]methoxy]-oxophosphanium
CID 70371614
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-[(4-acetamidophenyl)methylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 4000215
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (CID 139950958) is N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is XUVFWSSRABBQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(19)17-14-5-9-16(10-6-14)23(21,22)18(2)11-13-3-7-15(20)8-4-13/h3-10,20H,11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 139950958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).