non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate

C17H24N2O4S — CID 6735198

IUPACnon-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCCCCCCC#CCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-3-4-5-6-7-8-13-23-17(20)19-14-15-9-11-16(12-10-15)24(18,21)22/h9-12H,2-6,13-14H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyZWWJZQSXCYBWDZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.53
Rot. Bonds8

About non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate

non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate (PubChem CID 6735198) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate.

Molecular Properties

Compound Namenon-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
PubChem CID6735198
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namenon-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESCCCCCCC#CCOC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-2-3-4-5-6-7-8-13-23-17(20)19-14-15-9-11-16(12-10-15)24(18,21)22/h9-12H,2-6,13-14H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyZWWJZQSXCYBWDZ-UHFFFAOYSA-N
XLogP2.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6736715
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
4-nonylbenzenesulfonamide
CID 19845394
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6733948

Frequently Asked Questions

What is the IUPAC name of non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The IUPAC name of non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate (CID 6735198) is non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate.
What is the SMILES notation for non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The canonical SMILES for non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate is CCCCCCC#CCOC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The InChIKey is ZWWJZQSXCYBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-3-4-5-6-7-8-13-23-17(20)19-14-15-9-11-16(12-10-15)24(18,21)22/h9-12H,2-6,13-14H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate?
non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate has a molecular weight of 352.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate is sourced from PubChem (CID 6735198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).