N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide

C22H34N4O4S — CID 5323381

IUPACN-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCCN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N4O4S/c1-3-25-12-14-26(15-13-25)22(28)19-6-4-18(5-7-19)16-23-31(29,30)21-10-8-20(9-11-21)24-17(2)27/h8-11,18-19,23H,3-7,12-16H2,1-2H3,(H,24,27)
InChIKeyTVLIYFMRXFOEON-UHFFFAOYSA-N
MW450.61 g/mol
LogP1.89
Rot. Bonds7

About N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 5323381) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
PubChem CID5323381
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC NameN-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCCN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N4O4S/c1-3-25-12-14-26(15-13-25)22(28)19-6-4-18(5-7-19)16-23-31(29,30)21-10-8-20(9-11-21)24-17(2)27/h8-11,18-19,23H,3-7,12-16H2,1-2H3,(H,24,27)
InChIKeyTVLIYFMRXFOEON-UHFFFAOYSA-N
XLogP1.89
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Naluzotan
CID 11430856
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
3-amino-N-(4-{[(2S)-1-[4-(2-aminoethyl)piperidin-1-yl]-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl]sulfamoyl}phenyl)propanamide
CID 11656797
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
bicyclo[2.2.1]hept-5-en-2-yl-N-{4-[(dimethylamino)sulfonyl]phenyl}carboxamide
CID 3485855
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 155535355
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide (CID 5323381) is N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide is CCN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1.
What is the InChIKey of N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is TVLIYFMRXFOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-3-25-12-14-26(15-13-25)22(28)19-6-4-18(5-7-19)16-23-31(29,30)21-10-8-20(9-11-21)24-17(2)27/h8-11,18-19,23H,3-7,12-16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 450.61 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 5323381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).