N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide

C24H32N4O6S2 — CID 44565017

IUPACN-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N4O6S2/c1-17-3-7-21(8-4-17)27-24(30)28-36(33,34)23-11-5-19(6-12-23)15-16-25-35(31,32)22-13-9-20(10-14-22)26-18(2)29/h5-6,9-14,17,21,25H,3-4,7-8,15-16H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyJTFGRSDMQLNPNC-UHFFFAOYSA-N
MW536.68 g/mol
LogP2.73
Rot. Bonds9

About N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide (PubChem CID 44565017) has the molecular formula C24H32N4O6S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
PubChem CID44565017
Molecular FormulaC24H32N4O6S2
Molecular Weight536.68 g/mol
Exact Mass536.18
IUPAC NameN-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N4O6S2/c1-17-3-7-21(8-4-17)27-24(30)28-36(33,34)23-11-5-19(6-12-23)15-16-25-35(31,32)22-13-9-20(10-14-22)26-18(2)29/h5-6,9-14,17,21,25H,3-4,7-8,15-16H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyJTFGRSDMQLNPNC-UHFFFAOYSA-N
XLogP2.73
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.68
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
CID 163629847
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
CID 154385571
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide (CID 44565017) is N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is JTFGRSDMQLNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6S2/c1-17-3-7-21(8-4-17)27-24(30)28-36(33,34)23-11-5-19(6-12-23)15-16-25-35(31,32)22-13-9-20(10-14-22)26-18(2)29/h5-6,9-14,17,21,25H,3-4,7-8,15-16H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 536.68 g/mol, XLogP of 2.73, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 44565017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).