N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide

C15H19NO2S2 — CID 22201168

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(2)13-6-8-14(9-7-13)12(3)16-20(17,18)15-5-4-10-19-15/h4-12,16H,1-3H3
InChIKeyMIBXKHNNGUHJEQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide

N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 22201168) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID22201168
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(C)c1ccc(C(C)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(2)13-6-8-14(9-7-13)12(3)16-20(17,18)15-5-4-10-19-15/h4-12,16H,1-3H3
InChIKeyMIBXKHNNGUHJEQ-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
[4-[(1R)-1-(thiophen-2-ylsulfonylamino)ethyl]phenyl] trifluoromethanesulfonate
CID 23633403
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 9356126
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
CID 34145619
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
N-(1-iodo-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 107860243
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
CID 769134

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide (CID 22201168) is N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide is CC(C)c1ccc(C(C)NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MIBXKHNNGUHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-11(2)13-6-8-14(9-7-13)12(3)16-20(17,18)15-5-4-10-19-15/h4-12,16H,1-3H3.
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide?
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 309.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22201168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).