N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide

C16H19NO2S2 — CID 100547585

IUPACN-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-4-11-17(21(18,19)16-6-5-12-20-16)15-9-7-14(8-10-15)13(2)3/h4-10,12-13H,1,11H2,2-3H3
InChIKeyOVQZUCJWGVQPIC-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.25
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide

N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 100547585) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID100547585
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c1-4-11-17(21(18,19)16-6-5-12-20-16)15-9-7-14(8-10-15)13(2)3/h4-10,12-13H,1,11H2,2-3H3
InChIKeyOVQZUCJWGVQPIC-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
CID 23743563
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100552462
2-propan-2-ylsulfonylthiophene
CID 22953694
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide (CID 100547585) is N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is OVQZUCJWGVQPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-4-11-17(21(18,19)16-6-5-12-20-16)15-9-7-14(8-10-15)13(2)3/h4-10,12-13H,1,11H2,2-3H3.
What are the key properties of N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 321.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 100547585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).