phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate

C17H19NO6S — CID 110357956

IUPACphenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO6S/c1-22-15-9-8-14(12-16(15)23-2)25(20,21)11-10-18-17(19)24-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyCFEPBTUVEVMXMM-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.27
Rot. Bonds7

About phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate

phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate (PubChem CID 110357956) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
PubChem CID110357956
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namephenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO6S/c1-22-15-9-8-14(12-16(15)23-2)25(20,21)11-10-18-17(19)24-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyCFEPBTUVEVMXMM-UHFFFAOYSA-N
XLogP2.27
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
(E)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110410836
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate?
The IUPAC name of phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate (CID 110357956) is phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate?
The canonical SMILES for phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate is COc1ccc(S(=O)(=O)CCNC(=O)Oc2ccccc2)cc1OC.
What is the InChIKey of phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate?
The InChIKey is CFEPBTUVEVMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-15-9-8-14(12-16(15)23-2)25(20,21)11-10-18-17(19)24-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate?
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate has a molecular weight of 365.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate is sourced from PubChem (CID 110357956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).