2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide

C18H34N4O4S — CID 56582574

IUPAC2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C18H34N4O4S/c1-3-8-19-17(23)13-21-9-11-22(12-10-21)18(24)14-27(25,26)20-16-6-4-15(2)5-7-16/h15-16,20H,3-14H2,1-2H3,(H,19,23)
InChIKeyWYTBASUCIOQRBI-UHFFFAOYSA-N
MW402.56 g/mol
LogP0.15
Rot. Bonds8

About 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 56582574) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
PubChem CID56582574
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC Name2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C18H34N4O4S/c1-3-8-19-17(23)13-21-9-11-22(12-10-21)18(24)14-27(25,26)20-16-6-4-15(2)5-7-16/h15-16,20H,3-14H2,1-2H3,(H,19,23)
InChIKeyWYTBASUCIOQRBI-UHFFFAOYSA-N
XLogP0.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
CID 56502847
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
2-(1,4-diazepan-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 119418702
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
CID 55966532
2-[4-[2-(3-phenylpropylsulfonyl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55687126
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide (CID 56582574) is 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is WYTBASUCIOQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c1-3-8-19-17(23)13-21-9-11-22(12-10-21)18(24)14-27(25,26)20-16-6-4-15(2)5-7-16/h15-16,20H,3-14H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 402.56 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 56582574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).