phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate

C20H19NO5S — CID 7268077

IUPACphenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)Oc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H19NO5S/c1-15-9-11-17(12-10-15)27(23,24)19(18-8-5-13-25-18)14-21-20(22)26-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyYIURAQCCZOEEJG-IBGZPJMESA-N
MW385.44 g/mol
LogP3.89
Rot. Bonds6

About phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate

phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate (PubChem CID 7268077) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
PubChem CID7268077
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Namephenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)Oc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H19NO5S/c1-15-9-11-17(12-10-15)27(23,24)19(18-8-5-13-25-18)14-21-20(22)26-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyYIURAQCCZOEEJG-IBGZPJMESA-N
XLogP3.89
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
CID 41193070
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]acetamide
CID 40774896
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
N-[(2-chlorophenyl)methyl]-N'-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 22584517
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate?
The IUPAC name of phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate (CID 7268077) is phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate?
The canonical SMILES for phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)Oc2ccccc2)c2ccco2)cc1.
What is the InChIKey of phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate?
The InChIKey is YIURAQCCZOEEJG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19NO5S/c1-15-9-11-17(12-10-15)27(23,24)19(18-8-5-13-25-18)14-21-20(22)26-16-6-3-2-4-7-16/h2-13,19H,14H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate?
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate has a molecular weight of 385.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate is sourced from PubChem (CID 7268077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).