3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide

C16H27NO3S — CID 146353112

IUPAC3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCC(C)COCCCS(=O)(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO3S/c1-14(2)13-20-11-8-12-21(18,19)17-16(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,17H,8,11-13H2,1-4H3
InChIKeyWLUZYWANUUTSIK-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.90
Rot. Bonds9

About 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide

3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide (PubChem CID 146353112) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide
PubChem CID146353112
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide
SMILESCC(C)COCCCS(=O)(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C16H27NO3S/c1-14(2)13-20-11-8-12-21(18,19)17-16(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,17H,8,11-13H2,1-4H3
InChIKeyWLUZYWANUUTSIK-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.90
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

N-(1,1-diphenylethyl)-3-(2-methylpropoxy)propanamide
CID 56522602
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 105060592
2-(2-methylpropoxy)ethyl benzenesulfonate
CID 139894281
N-(2-pyridin-3-ylpropan-2-yl)butane-1-sulfonamide
CID 113091993
[1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2-methylpropan-2-yl]benzene
CID 158308844
3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
CID 43770151
2-(difluoromethylsulfonyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 115620846
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037
2-phenyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 113251242
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine
CID 109417712
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide (CID 146353112) is 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide is CC(C)COCCCS(=O)(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is WLUZYWANUUTSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-14(2)13-20-11-8-12-21(18,19)17-16(3,4)15-9-6-5-7-10-15/h5-7,9-10,14,17H,8,11-13H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide?
3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 313.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(2-phenylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 146353112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).