5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide

C14H16N2O2S2 — CID 112980180

IUPAC5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-10-15-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h3-9,15-16H,1,10H2,2H3
InChIKeyNOKUAXULFVPOAF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.46
Rot. Bonds6

About 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 112980180) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
PubChem CID112980180
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H16N2O2S2/c1-3-10-15-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h3-9,15-16H,1,10H2,2H3
InChIKeyNOKUAXULFVPOAF-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide (CID 112980180) is 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is NOKUAXULFVPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-3-10-15-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h3-9,15-16H,1,10H2,2H3.
What are the key properties of 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 308.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112980180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).