methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate

C18H20N2O5S — CID 47070251

IUPACmethyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)11-20(12-17(21)25-2)26(23,24)16-9-7-14(8-10-16)18(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)
InChIKeyVWEZTCJBMWAECI-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.46
Rot. Bonds7

About methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate

methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate (PubChem CID 47070251) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate
PubChem CID47070251
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)11-20(12-17(21)25-2)26(23,24)16-9-7-14(8-10-16)18(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)
InChIKeyVWEZTCJBMWAECI-UHFFFAOYSA-N
XLogP1.46
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28545687
4-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126069699
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
CID 2192147
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate (CID 47070251) is methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate is COC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate?
The InChIKey is VWEZTCJBMWAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-5-3-4-6-15(13)11-20(12-17(21)25-2)26(23,24)16-9-7-14(8-10-16)18(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22).
What are the key properties of methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate?
methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate has a molecular weight of 376.43 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-carbamoylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetate is sourced from PubChem (CID 47070251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).