ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate

C20H25NO4S — CID 155295839

IUPACethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H25NO4S/c1-2-25-20(22)17-9-7-15(8-10-17)14-21-26(23,24)19-12-11-16-5-3-4-6-18(16)13-19/h3-6,11-13,15,17,21H,2,7-10,14H2,1H3
InChIKeySPHQTQORQUCTEQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.49
Rot. Bonds6

About ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate

ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 155295839) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID155295839
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Nameethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H25NO4S/c1-2-25-20(22)17-9-7-15(8-10-17)14-21-26(23,24)19-12-11-16-5-3-4-6-18(16)13-19/h3-6,11-13,15,17,21H,2,7-10,14H2,1H3
InChIKeySPHQTQORQUCTEQ-UHFFFAOYSA-N
XLogP3.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 20599120
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 126468259
ethyl 1-[(2S)-2-(naphthalen-2-ylsulfonylamino)-4-oxo-4-phenylmethoxybutanoyl]piperidine-4-carboxylate
CID 10460272
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
N-[(2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20637775
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
(6-oxobenzo[c]chromen-3-yl) 4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 3318890
N-[[4-[[(4-amino-8-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 139925321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate (CID 155295839) is ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is SPHQTQORQUCTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-2-25-20(22)17-9-7-15(8-10-17)14-21-26(23,24)19-12-11-16-5-3-4-6-18(16)13-19/h3-6,11-13,15,17,21H,2,7-10,14H2,1H3.
What are the key properties of ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate?
ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 155295839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).