N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide

C12H19NO4S — CID 66838352

IUPACN-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1cc([C@H](C)NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C12H19NO4S/c1-5-17-12-8-10(6-7-11(12)16-3)9(2)13-18(4,14)15/h6-9,13H,5H2,1-4H3/t9-/m0/s1
InChIKeyMQHHMEQQUWKKTJ-VIFPVBQESA-N
MW273.35 g/mol
LogP1.70
Rot. Bonds6

About N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide

N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 66838352) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID66838352
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCCOc1cc([C@H](C)NS(C)(=O)=O)ccc1OC
InChIInChI=1S/C12H19NO4S/c1-5-17-12-8-10(6-7-11(12)16-3)9(2)13-18(4,14)15/h6-9,13H,5H2,1-4H3/t9-/m0/s1
InChIKeyMQHHMEQQUWKKTJ-VIFPVBQESA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide 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-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
CID 47062244
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium
CID 142314842
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2,4-bis(3-ethoxy-4-methoxyphenyl)-1,5-bis(methylsulfonyl)pentan-3-one
CID 154400068
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 142700262
2-ethoxy-1-methoxy-4-(2-methylsulfonyl-1-phenylethyl)benzene
CID 69484833
(1S)-1-deuterio-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
CID 90049002

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide (CID 66838352) is N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide is CCOc1cc([C@H](C)NS(C)(=O)=O)ccc1OC.
What is the InChIKey of N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is MQHHMEQQUWKKTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO4S/c1-5-17-12-8-10(6-7-11(12)16-3)9(2)13-18(4,14)15/h6-9,13H,5H2,1-4H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide?
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 66838352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).