N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide

C16H21NO3S2 — CID 78870484

IUPACN,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCOc2ccccc2)c(C)s1
InChIInChI=1S/C16H21NO3S2/c1-13-12-16(14(2)21-13)22(18,19)17(3)10-7-11-20-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyRNNCFERCINZPON-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.45
Rot. Bonds7

About N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide

N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide (PubChem CID 78870484) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
PubChem CID78870484
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCOc2ccccc2)c(C)s1
InChIInChI=1S/C16H21NO3S2/c1-13-12-16(14(2)21-13)22(18,19)17(3)10-7-11-20-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyRNNCFERCINZPON-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 115756286
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
CID 55007949
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 47020938
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
CID 60953631
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide (CID 78870484) is N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(C)CCCOc2ccccc2)c(C)s1.
What is the InChIKey of N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide?
The InChIKey is RNNCFERCINZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-13-12-16(14(2)21-13)22(18,19)17(3)10-7-11-20-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide?
N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 78870484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).