N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide

C16H21NO3S2 — CID 90524166

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C16H21NO3S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)17-10-9-15(18)16-4-3-11-21-16/h3-8,11-12,15,17-18H,9-10H2,1-2H3
InChIKeyRJMCYGJGEKGKQW-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.27
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 90524166) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID90524166
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1
InChIInChI=1S/C16H21NO3S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)17-10-9-15(18)16-4-3-11-21-16/h3-8,11-12,15,17-18H,9-10H2,1-2H3
InChIKeyRJMCYGJGEKGKQW-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
CID 90524150
4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 74756714
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide (CID 90524166) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCC(O)c2cccs2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RJMCYGJGEKGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-12(2)13-5-7-14(8-6-13)22(19,20)17-10-9-15(18)16-4-3-11-21-16/h3-8,11-12,15,17-18H,9-10H2,1-2H3.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90524166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).