N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide

C32H50N2O4S — CID 3629462

IUPACN-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCCCCCCCCCCCCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C32H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34(27-29-21-18-17-19-22-29)39(36,37)30-23-24-32(38-3)31(26-30)33-28(2)35/h17-19,21-24,26H,4-16,20,25,27H2,1-3H3,(H,33,35)
InChIKeyDAADYHIMWGNYCD-UHFFFAOYSA-N
MW558.83 g/mol
LogP8.33
Rot. Bonds21

About N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 3629462) has the molecular formula C32H50N2O4S and a molecular weight of 558.83 g/mol. Its IUPAC name is N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID3629462
Molecular FormulaC32H50N2O4S
Molecular Weight558.83 g/mol
Exact Mass558.35
IUPAC NameN-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCCCCCCCCCCCCCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C32H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34(27-29-21-18-17-19-22-29)39(36,37)30-23-24-32(38-3)31(26-30)33-28(2)35/h17-19,21-24,26H,4-16,20,25,27H2,1-3H3,(H,33,35)
InChIKeyDAADYHIMWGNYCD-UHFFFAOYSA-N
XLogP8.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.83
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
CID 24555959
N-benzyl-3,4-dihydroxy-N-octylbenzenesulfonamide
CID 59350324
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[5-[(4-fluorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797927
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(hexan-2-ylideneamino)acetamide
CID 3130115
1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-phenylethyl)thiourea
CID 7939337
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide (CID 3629462) is N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide is CCCCCCCCCCCCCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is DAADYHIMWGNYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34(27-29-21-18-17-19-22-29)39(36,37)30-23-24-32(38-3)31(26-30)33-28(2)35/h17-19,21-24,26H,4-16,20,25,27H2,1-3H3,(H,33,35).
What are the key properties of N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 558.83 g/mol, XLogP of 8.33, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 3629462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).