[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid

C21H27N3O5S — CID 69028182

IUPAC[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCC3CCC(CNC(=O)O)CC3)cccc12
InChIInChI=1S/C21H27N3O5S/c1-14(25)24-19-6-2-5-18-17(19)4-3-7-20(18)30(28,29)23-13-16-10-8-15(9-11-16)12-22-21(26)27/h2-7,15-16,22-23H,8-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyHEPNJGDPMYGYBV-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.15
Rot. Bonds7

About [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid

[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69028182) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69028182
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCC3CCC(CNC(=O)O)CC3)cccc12
InChIInChI=1S/C21H27N3O5S/c1-14(25)24-19-6-2-5-18-17(19)4-3-7-20(18)30(28,29)23-13-16-10-8-15(9-11-16)12-22-21(26)27/h2-7,15-16,22-23H,8-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyHEPNJGDPMYGYBV-UHFFFAOYSA-N
XLogP3.15
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69118403
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69029468
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride
CID 164617854
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
2-(cyclopropylmethylamino)-N-[2-(ethylsulfamoyl)phenyl]acetamide
CID 60866551
N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide
CID 143654790

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid (CID 69028182) is [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid is CC(=O)Nc1cccc2c(S(=O)(=O)NCC3CCC(CNC(=O)O)CC3)cccc12.
What is the InChIKey of [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is HEPNJGDPMYGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-14(25)24-19-6-2-5-18-17(19)4-3-7-20(18)30(28,29)23-13-16-10-8-15(9-11-16)12-22-21(26)27/h2-7,15-16,22-23H,8-13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 433.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69028182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).