2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

C24H32N4O5S — CID 21389080

IUPAC2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1ccccc1S(=O)(=O)NC(=O)NN1CCC(C)CC1
InChIInChI=1S/C24H32N4O5S/c1-3-33-21-10-6-5-9-20(21)23(29)25-15-12-19-8-4-7-11-22(19)34(31,32)27-24(30)26-28-16-13-18(2)14-17-28/h4-11,18H,3,12-17H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyCCCICELSZIKDGE-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.69
Rot. Bonds9

About 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (PubChem CID 21389080) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
PubChem CID21389080
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1ccccc1S(=O)(=O)NC(=O)NN1CCC(C)CC1
InChIInChI=1S/C24H32N4O5S/c1-3-33-21-10-6-5-9-20(21)23(29)25-15-12-19-8-4-7-11-22(19)34(31,32)27-24(30)26-28-16-13-18(2)14-17-28/h4-11,18H,3,12-17H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyCCCICELSZIKDGE-UHFFFAOYSA-N
XLogP2.69
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[(4-ethylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 21389125
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
CID 21389065
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (CID 21389080) is 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1ccccc1S(=O)(=O)NC(=O)NN1CCC(C)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is CCCICELSZIKDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-3-33-21-10-6-5-9-20(21)23(29)25-15-12-19-8-4-7-11-22(19)34(31,32)27-24(30)26-28-16-13-18(2)14-17-28/h4-11,18H,3,12-17H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 488.61 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[2-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 21389080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).