4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide

C24H41N5O4S — CID 55698385

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C24H41N5O4S/c1-4-27(5-2)19-20-33-23-14-10-9-13-22(23)25-24(30)28-15-17-29(18-16-28)34(31,32)26(3)21-11-7-6-8-12-21/h9-10,13-14,21H,4-8,11-12,15-20H2,1-3H3,(H,25,30)
InChIKeyPBZWLBNEKXHGQZ-UHFFFAOYSA-N
MW495.69 g/mol
LogP3.07
Rot. Bonds10

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide (PubChem CID 55698385) has the molecular formula C24H41N5O4S and a molecular weight of 495.69 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
PubChem CID55698385
Molecular FormulaC24H41N5O4S
Molecular Weight495.69 g/mol
Exact Mass495.29
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C24H41N5O4S/c1-4-27(5-2)19-20-33-23-14-10-9-13-22(23)25-24(30)28-15-17-29(18-16-28)34(31,32)26(3)21-11-7-6-8-12-21/h9-10,13-14,21H,4-8,11-12,15-20H2,1-3H3,(H,25,30)
InChIKeyPBZWLBNEKXHGQZ-UHFFFAOYSA-N
XLogP3.07
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
(3aS,6aR)-2-[[2-[2-(diethylamino)ethoxy]phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122075292
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 55698225
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 87035683
2-[cyclohexyl(methyl)amino]-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54817307
N-cyclohexyl-4-(3,4-diethoxybenzoyl)-N-methylpiperazine-1-sulfonamide
CID 55599312
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide (CID 55698385) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide is CCN(CC)CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide?
The InChIKey is PBZWLBNEKXHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O4S/c1-4-27(5-2)19-20-33-23-14-10-9-13-22(23)25-24(30)28-15-17-29(18-16-28)34(31,32)26(3)21-11-7-6-8-12-21/h9-10,13-14,21H,4-8,11-12,15-20H2,1-3H3,(H,25,30).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide has a molecular weight of 495.69 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55698385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).