N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide

C14H15NO3S2 — CID 100548025

IUPACN-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO3S2/c1-3-10-15(12-6-8-13(18-2)9-7-12)20(16,17)14-5-4-11-19-14/h3-9,11H,1,10H2,2H3
InChIKeyUPJOZWPVQBLQJM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.14
Rot. Bonds6

About N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide

N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 100548025) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID100548025
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO3S2/c1-3-10-15(12-6-8-13(18-2)9-7-12)20(16,17)14-5-4-11-19-14/h3-9,11H,1,10H2,2H3
InChIKeyUPJOZWPVQBLQJM-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
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-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
4-methoxy-N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylbenzamide
CID 993467
N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55982620
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 47004366
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
CID 993466
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100552462

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide (CID 100548025) is N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is UPJOZWPVQBLQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-3-10-15(12-6-8-13(18-2)9-7-12)20(16,17)14-5-4-11-19-14/h3-9,11H,1,10H2,2H3.
What are the key properties of N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide?
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 309.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 100548025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).