N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide

C17H25N3O4S — CID 4834138

IUPACN-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-12(13-7-9-15(10-8-13)25(18,23)24)20-16(21)11-19-17(22)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyBTGPTWGKXXKXMQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.21
Rot. Bonds6

About N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide

N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide (PubChem CID 4834138) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide
PubChem CID4834138
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-12(13-7-9-15(10-8-13)25(18,23)24)20-16(21)11-19-17(22)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyBTGPTWGKXXKXMQ-UHFFFAOYSA-N
XLogP1.21
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide (CID 4834138) is N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide is CC(NC(=O)CNC(=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is BTGPTWGKXXKXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-12(13-7-9-15(10-8-13)25(18,23)24)20-16(21)11-19-17(22)14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4834138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).