(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate

C20H23NO4S — CID 7847537

IUPAC(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
SMILESCc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23NO4S/c1-15-6-8-16(9-7-15)14-25-20(22)13-21-26(23,24)19-11-10-17-4-2-3-5-18(17)12-19/h6-12,21H,2-5,13-14H2,1H3
InChIKeyKZFJIGIEBPUPNX-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.90
Rot. Bonds6

About (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate

(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate (PubChem CID 7847537) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
PubChem CID7847537
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
SMILESCc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H23NO4S/c1-15-6-8-16(9-7-15)14-25-20(22)13-21-26(23,24)19-11-10-17-4-2-3-5-18(17)12-19/h6-12,21H,2-5,13-14H2,1H3
InChIKeyKZFJIGIEBPUPNX-UHFFFAOYSA-N
XLogP2.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-nitrophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829798
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetyl]oxybenzoate
CID 9455692
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847645
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
(3-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839574
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
2,3-dihydro-1H-inden-5-ylmethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
CID 166208055
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847658
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112999633
(4-methylphenyl)methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate
CID 7803568
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate (CID 7847537) is (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate is Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The InChIKey is KZFJIGIEBPUPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-15-6-8-16(9-7-15)14-25-20(22)13-21-26(23,24)19-11-10-17-4-2-3-5-18(17)12-19/h6-12,21H,2-5,13-14H2,1H3.
What are the key properties of (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate has a molecular weight of 373.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7847537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).