N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride

C20H28ClN3O3S — CID 120607255

IUPACN-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)c2ccccc12.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14-7-5-6-12-20(14,13-21)23-27(25,26)19-11-10-18(22-15(2)24)16-8-3-4-9-17(16)19;/h3-4,8-11,14,23H,5-7,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyWAZIJOQQGXBMHV-UHFFFAOYSA-N
MW425.98 g/mol
LogP3.41
Rot. Bonds5

About N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride

N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride (PubChem CID 120607255) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride
PubChem CID120607255
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC NameN-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)c2ccccc12.Cl
InChIInChI=1S/C20H27N3O3S.ClH/c1-14-7-5-6-12-20(14,13-21)23-27(25,26)19-11-10-18(22-15(2)24)16-8-3-4-9-17(16)19;/h3-4,8-11,14,23H,5-7,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyWAZIJOQQGXBMHV-UHFFFAOYSA-N
XLogP3.41
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride (CID 120607255) is N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NC2(CN)CCCCC2C)c2ccccc12.Cl.
What is the InChIKey of N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride?
The InChIKey is WAZIJOQQGXBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c1-14-7-5-6-12-20(14,13-21)23-27(25,26)19-11-10-18(22-15(2)24)16-8-3-4-9-17(16)19;/h3-4,8-11,14,23H,5-7,12-13,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride?
N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120607255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).