N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide

C27H36N4O6S2 — CID 4930373

IUPACN,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NCC=C)cc2)cc1
InChIInChI=1S/C27H36N4O6S2/c1-3-20-28-38(34,35)24-16-12-22(13-17-24)30-26(32)10-8-6-5-7-9-11-27(33)31-23-14-18-25(19-15-23)39(36,37)29-21-4-2/h3-4,12-19,28-29H,1-2,5-11,20-21H2,(H,30,32)(H,31,33)
InChIKeyVVDOCFFRSUXUGJ-UHFFFAOYSA-N
MW576.74 g/mol
LogP3.92
Rot. Bonds18

About N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide

N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide (PubChem CID 4930373) has the molecular formula C27H36N4O6S2 and a molecular weight of 576.74 g/mol. Its IUPAC name is N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
PubChem CID4930373
Molecular FormulaC27H36N4O6S2
Molecular Weight576.74 g/mol
Exact Mass576.21
IUPAC NameN,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NCC=C)cc2)cc1
InChIInChI=1S/C27H36N4O6S2/c1-3-20-28-38(34,35)24-16-12-22(13-17-24)30-26(32)10-8-6-5-7-9-11-27(33)31-23-14-18-25(19-15-23)39(36,37)29-21-4-2/h3-4,12-19,28-29H,1-2,5-11,20-21H2,(H,30,32)(H,31,33)
InChIKeyVVDOCFFRSUXUGJ-UHFFFAOYSA-N
XLogP3.92
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.74
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide (CID 4930373) is N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide is C=CCNS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NCC=C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide?
The InChIKey is VVDOCFFRSUXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O6S2/c1-3-20-28-38(34,35)24-16-12-22(13-17-24)30-26(32)10-8-6-5-7-9-11-27(33)31-23-14-18-25(19-15-23)39(36,37)29-21-4-2/h3-4,12-19,28-29H,1-2,5-11,20-21H2,(H,30,32)(H,31,33).
What are the key properties of N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide?
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide has a molecular weight of 576.74 g/mol, XLogP of 3.92, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide is sourced from PubChem (CID 4930373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).