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

C23H32N4O4S — CID 137435031

IUPACN-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
SMILESCCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32N4O4S/c1-3-4-5-6-7-16-24-22(28)17-25-23(29)26-19-10-12-20(13-11-19)27-32(30,31)21-14-8-18(2)9-15-21/h8-15,27H,3-7,16-17H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyUHQBLWQLQVHGCG-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.00
Rot. Bonds12

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

N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide (PubChem CID 137435031) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
PubChem CID137435031
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide
SMILESCCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H32N4O4S/c1-3-4-5-6-7-16-24-22(28)17-25-23(29)26-19-10-12-20(13-11-19)27-32(30,31)21-14-8-18(2)9-15-21/h8-15,27H,3-7,16-17H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyUHQBLWQLQVHGCG-UHFFFAOYSA-N
XLogP4.00
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.00
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

2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-octylacetamide
CID 137435186
(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 N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide?
The IUPAC name of N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide (CID 137435031) is N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide is CCCCCCCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide?
The InChIKey is UHQBLWQLQVHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-3-4-5-6-7-16-24-22(28)17-25-23(29)26-19-10-12-20(13-11-19)27-32(30,31)21-14-8-18(2)9-15-21/h8-15,27H,3-7,16-17H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide?
N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide has a molecular weight of 460.60 g/mol, XLogP of 4.00, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 137435031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).