N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide

C19H36N4O5S — CID 56502847

IUPACN-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C19H36N4O5S/c1-16-4-6-17(7-5-16)21-29(26,27)15-19(25)23-11-9-22(10-12-23)14-18(24)20-8-3-13-28-2/h16-17,21H,3-15H2,1-2H3,(H,20,24)
InChIKeyJGTAAYYHJGIXJV-UHFFFAOYSA-N
MW432.59 g/mol
LogP-0.22
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 56502847) has the molecular formula C19H36N4O5S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
PubChem CID56502847
Molecular FormulaC19H36N4O5S
Molecular Weight432.59 g/mol
Exact Mass432.24
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C19H36N4O5S/c1-16-4-6-17(7-5-16)21-29(26,27)15-19(25)23-11-9-22(10-12-23)14-18(24)20-8-3-13-28-2/h16-17,21H,3-15H2,1-2H3,(H,20,24)
InChIKeyJGTAAYYHJGIXJV-UHFFFAOYSA-N
XLogP-0.22
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
CID 56582574
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428478
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432285
N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
CID 55427135

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide (CID 56502847) is N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is JGTAAYYHJGIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O5S/c1-16-4-6-17(7-5-16)21-29(26,27)15-19(25)23-11-9-22(10-12-23)14-18(24)20-8-3-13-28-2/h16-17,21H,3-15H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 432.59 g/mol, XLogP of -0.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 56502847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).