N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

C21H33N5O4S2 — CID 55626213

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C21H33N5O4S2/c1-24(17-7-3-2-4-8-17)32(29,30)26-13-11-25(12-14-26)15-21(28)23-18-9-5-6-10-19(18)31-16-20(22)27/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,22,27)(H,23,28)
InChIKeyKKLQYSLUCMKLKC-UHFFFAOYSA-N
MW483.66 g/mol
LogP1.33
Rot. Bonds9

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (PubChem CID 55626213) has the molecular formula C21H33N5O4S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
PubChem CID55626213
Molecular FormulaC21H33N5O4S2
Molecular Weight483.66 g/mol
Exact Mass483.20
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1
InChIInChI=1S/C21H33N5O4S2/c1-24(17-7-3-2-4-8-17)32(29,30)26-13-11-25(12-14-26)15-21(28)23-18-9-5-6-10-19(18)31-16-20(22)27/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,22,27)(H,23,28)
InChIKeyKKLQYSLUCMKLKC-UHFFFAOYSA-N
XLogP1.33
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
methyl 3-[[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate
CID 55626116
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906291
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282
1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680561
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 55625942

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (CID 55626213) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The InChIKey is KKLQYSLUCMKLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4S2/c1-24(17-7-3-2-4-8-17)32(29,30)26-13-11-25(12-14-26)15-21(28)23-18-9-5-6-10-19(18)31-16-20(22)27/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide has a molecular weight of 483.66 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55626213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).