1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide

C16H19NO3S — CID 3764868

IUPAC1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCOCc1ccccc1
InChIInChI=1S/C16H19NO3S/c18-21(19,14-16-9-5-2-6-10-16)17-11-12-20-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyDTZMXAFXHGEKTP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.32
Rot. Bonds8

About 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide

1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide (PubChem CID 3764868) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
PubChem CID3764868
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCOCc1ccccc1
InChIInChI=1S/C16H19NO3S/c18-21(19,14-16-9-5-2-6-10-16)17-11-12-20-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyDTZMXAFXHGEKTP-UHFFFAOYSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
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1-bromo-N-(3-phenylmethoxypropyl)methanesulfonamide
CID 83085395
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
2-(2-phenylmethoxyethoxy)ethyl phenylmethanesulfonate
CID 71344720
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
(2R)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258678
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide (CID 3764868) is 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCOCc1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide?
The InChIKey is DTZMXAFXHGEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-21(19,14-16-9-5-2-6-10-16)17-11-12-20-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide?
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide is sourced from PubChem (CID 3764868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).