2-methylsulfonylethyl N-(2-phenylacetyl)carbamate

C12H15NO5S — CID 57314239

IUPAC2-methylsulfonylethyl N-(2-phenylacetyl)carbamate
SMILESCS(=O)(=O)CCOC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO5S/c1-19(16,17)8-7-18-12(15)13-11(14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14,15)
InChIKeyCOWIHTRPIMLOOP-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.53
Rot. Bonds5

About 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate

2-methylsulfonylethyl N-(2-phenylacetyl)carbamate (PubChem CID 57314239) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate.

Molecular Properties

Compound Name2-methylsulfonylethyl N-(2-phenylacetyl)carbamate
PubChem CID57314239
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name2-methylsulfonylethyl N-(2-phenylacetyl)carbamate
SMILESCS(=O)(=O)CCOC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H15NO5S/c1-19(16,17)8-7-18-12(15)13-11(14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14,15)
InChIKeyCOWIHTRPIMLOOP-UHFFFAOYSA-N
XLogP0.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-(2-methylsulfonylethoxycarbonylamino)-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 56612377
(2S)-2-(2-methylsulfonylethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 71408362
(3S)-4-oxo-3-[(2-phenylacetyl)amino]-4-propoxybutane-1-sulfonic acid
CID 87372260
2-phenylethyl N-carbamoylcarbamate
CID 3027882
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
2-methylsulfonylethyl N-(4,4-diethoxy-2-phenylbutyl)carbamate
CID 101036698
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
benzyl (2S)-2-amino-4-methylsulfonylbutanoate
CID 22869170
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190
(2-benzamido-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836877

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate?
The IUPAC name of 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate (CID 57314239) is 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate.
What is the SMILES notation for 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate?
The canonical SMILES for 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate is CS(=O)(=O)CCOC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate?
The InChIKey is COWIHTRPIMLOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-19(16,17)8-7-18-12(15)13-11(14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14,15).
What are the key properties of 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate?
2-methylsulfonylethyl N-(2-phenylacetyl)carbamate has a molecular weight of 285.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethyl N-(2-phenylacetyl)carbamate is sourced from PubChem (CID 57314239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).