N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide

C34H54N4O6S2 — CID 17080128

IUPACN,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CCC)CCC)cc2)cc1
InChIInChI=1S/C34H54N4O6S2/c1-5-25-37(26-6-2)45(41,42)31-21-17-29(18-22-31)35-33(39)15-13-11-9-10-12-14-16-34(40)36-30-19-23-32(24-20-30)46(43,44)38(27-7-3)28-8-4/h17-24H,5-16,25-28H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyMXUHPJQIZCTLDO-UHFFFAOYSA-N
MW678.96 g/mol
LogP7.01
Rot. Bonds23

About N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide

N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide (PubChem CID 17080128) has the molecular formula C34H54N4O6S2 and a molecular weight of 678.96 g/mol. Its IUPAC name is N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
PubChem CID17080128
Molecular FormulaC34H54N4O6S2
Molecular Weight678.96 g/mol
Exact Mass678.35
IUPAC NameN,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CCC)CCC)cc2)cc1
InChIInChI=1S/C34H54N4O6S2/c1-5-25-37(26-6-2)45(41,42)31-21-17-29(18-22-31)35-33(39)15-13-11-9-10-12-14-16-34(40)36-30-19-23-32(24-20-30)46(43,44)38(27-7-3)28-8-4/h17-24H,5-16,25-28H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyMXUHPJQIZCTLDO-UHFFFAOYSA-N
XLogP7.01
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.96
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
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N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 4091251
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
CID 4946832

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide (CID 17080128) is N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(S(=O)(=O)N(CCC)CCC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide?
The InChIKey is MXUHPJQIZCTLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N4O6S2/c1-5-25-37(26-6-2)45(41,42)31-21-17-29(18-22-31)35-33(39)15-13-11-9-10-12-14-16-34(40)36-30-19-23-32(24-20-30)46(43,44)38(27-7-3)28-8-4/h17-24H,5-16,25-28H2,1-4H3,(H,35,39)(H,36,40).
What are the key properties of N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide?
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide has a molecular weight of 678.96 g/mol, XLogP of 7.01, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide is sourced from PubChem (CID 17080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).