2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide

C24H34N4O4S — CID 137435186

IUPAC2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
SMILESCCCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H34N4O4S/c1-3-4-5-6-7-8-17-25-23(29)18-26-24(30)27-20-11-13-21(14-12-20)28-33(31,32)22-15-9-19(2)10-16-22/h9-16,28H,3-8,17-18H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyASSFAUICOFSLQY-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.39
Rot. Bonds13

About 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide

2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide (PubChem CID 137435186) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
PubChem CID137435186
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
SMILESCCCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H34N4O4S/c1-3-4-5-6-7-8-17-25-23(29)18-26-24(30)27-20-11-13-21(14-12-20)28-33(31,32)22-15-9-19(2)10-16-22/h9-16,28H,3-8,17-18H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyASSFAUICOFSLQY-UHFFFAOYSA-N
XLogP4.39
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
CID 137435031
(2R)-N-hexyl-4-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]pentanamide
CID 137435097
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183
(2R)-3-cyclohexyl-N-hexyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435061
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
1-(4-methylphenyl)sulfonyl-3-(4-octadecanoylphenyl)urea
CID 21459629
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide?
The IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide (CID 137435186) is 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide?
The canonical SMILES for 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide is CCCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide?
The InChIKey is ASSFAUICOFSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-3-4-5-6-7-8-17-25-23(29)18-26-24(30)27-20-11-13-21(14-12-20)28-33(31,32)22-15-9-19(2)10-16-22/h9-16,28H,3-8,17-18H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide?
2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide has a molecular weight of 474.63 g/mol, XLogP of 4.39, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide is sourced from PubChem (CID 137435186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).