dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate

C24H25NO7S — CID 25158678

IUPACdimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(=O)OC
InChIInChI=1S/C24H25NO7S/c1-30-23(26)13-12-22(24(27)31-2)25-33(28,29)21-11-9-18-14-20(10-8-19(18)15-21)32-16-17-6-4-3-5-7-17/h3-11,14-15,22,25H,12-13,16H2,1-2H3/t22-/m1/s1
InChIKeyVFQFDCKWUTXJGA-JOCHJYFZSA-N
MW471.53 g/mol
LogP3.19
Rot. Bonds10

About dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate

dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate (PubChem CID 25158678) has the molecular formula C24H25NO7S and a molecular weight of 471.53 g/mol. Its IUPAC name is dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate
PubChem CID25158678
Molecular FormulaC24H25NO7S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Namedimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate
SMILESCOC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(=O)OC
InChIInChI=1S/C24H25NO7S/c1-30-23(26)13-12-22(24(27)31-2)25-33(28,29)21-11-9-18-14-20(10-8-19(18)15-21)32-16-17-6-4-3-5-7-17/h3-11,14-15,22,25H,12-13,16H2,1-2H3/t22-/m1/s1
InChIKeyVFQFDCKWUTXJGA-JOCHJYFZSA-N
XLogP3.19
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 154634382
(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
CID 25484810
methyl (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 170966374
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(naphthalen-2-ylsulfonylamino)hexanoate
CID 74225288
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
CID 43870807
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
(2R)-2-[[6-[(4-cyano-2-methoxyphenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid
CID 25138193
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate?
The IUPAC name of dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate (CID 25158678) is dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate.
What is the SMILES notation for dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate?
The canonical SMILES for dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate is COC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate?
The InChIKey is VFQFDCKWUTXJGA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25NO7S/c1-30-23(26)13-12-22(24(27)31-2)25-33(28,29)21-11-9-18-14-20(10-8-19(18)15-21)32-16-17-6-4-3-5-7-17/h3-11,14-15,22,25H,12-13,16H2,1-2H3/t22-/m1/s1.
What are the key properties of dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate?
dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate has a molecular weight of 471.53 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]pentanedioate is sourced from PubChem (CID 25158678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).