N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

C16H19NO3S — CID 33037571

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13(15-10-6-7-11-16(15)20-2)17-21(18,19)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1
InChIKeyIDMHUAZVOMOTPS-ZDUSSCGKSA-N
MW305.40 g/mol
LogP2.88
Rot. Bonds6

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 33037571) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID33037571
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-13(15-10-6-7-11-16(15)20-2)17-21(18,19)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1
InChIKeyIDMHUAZVOMOTPS-ZDUSSCGKSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 133186551
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (CID 33037571) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is IDMHUAZVOMOTPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13(15-10-6-7-11-16(15)20-2)17-21(18,19)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 33037571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).