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

C33H44N4O6S2 — CID 4924122

IUPACN,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C33H44N4O6S2/c1-5-24-36(25-6-2)44(40,41)30-20-16-28(17-21-30)34-32(38)14-12-10-9-11-13-15-33(39)35-29-18-22-31(23-19-29)45(42,43)37(26-7-3)27-8-4/h5-8,16-23H,1-4,9-15,24-27H2,(H,34,38)(H,35,39)
InChIKeyLMOZOPQSLREKAD-UHFFFAOYSA-N
MW656.87 g/mol
LogP5.72
Rot. Bonds22

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

N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide (PubChem CID 4924122) has the molecular formula C33H44N4O6S2 and a molecular weight of 656.87 g/mol. Its IUPAC name is N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
PubChem CID4924122
Molecular FormulaC33H44N4O6S2
Molecular Weight656.87 g/mol
Exact Mass656.27
IUPAC NameN,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C33H44N4O6S2/c1-5-24-36(25-6-2)44(40,41)30-20-16-28(17-21-30)34-32(38)14-12-10-9-11-13-15-33(39)35-29-18-22-31(23-19-29)45(42,43)37(26-7-3)27-8-4/h5-8,16-23H,1-4,9-15,24-27H2,(H,34,38)(H,35,39)
InChIKeyLMOZOPQSLREKAD-UHFFFAOYSA-N
XLogP5.72
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 55.72
H-Bond Donors ≤ 52
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

N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4777944
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
CID 17433895
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936993
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide (CID 4924122) is N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CC=C)CC=C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide?
The InChIKey is LMOZOPQSLREKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O6S2/c1-5-24-36(25-6-2)44(40,41)30-20-16-28(17-21-30)34-32(38)14-12-10-9-11-13-15-33(39)35-29-18-22-31(23-19-29)45(42,43)37(26-7-3)27-8-4/h5-8,16-23H,1-4,9-15,24-27H2,(H,34,38)(H,35,39).
What are the key properties of N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide?
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide has a molecular weight of 656.87 g/mol, XLogP of 5.72, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide is sourced from PubChem (CID 4924122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).