2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide

C13H19NO3S — CID 90713646

IUPAC2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC=COCc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)18(15,16)14-9-10-17-11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3
InChIKeyPQMHNAWHAHKDCX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide

2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide (PubChem CID 90713646) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide
PubChem CID90713646
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC=COCc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)18(15,16)14-9-10-17-11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3
InChIKeyPQMHNAWHAHKDCX-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
CID 10243078
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996
methyl (E)-4-phenylmethoxy-2-(tritylcarbamoyl)but-3-enoate
CID 46932770
2-methyl-2-(phenylmethoxymethylsulfonyl)propanoic acid
CID 102939650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide (CID 90713646) is 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC=COCc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide?
The InChIKey is PQMHNAWHAHKDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,3)18(15,16)14-9-10-17-11-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3.
What are the key properties of 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide?
2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide is sourced from PubChem (CID 90713646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).