N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide

C15H20N2O2S2 — CID 16890450

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C15H20N2O2S2/c1-12-4-9-15(20-12)21(18,19)16-11-10-13-5-7-14(8-6-13)17(2)3/h4-9,16H,10-11H2,1-3H3
InChIKeyRPADOQRXQUANLR-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 16890450) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID16890450
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C15H20N2O2S2/c1-12-4-9-15(20-12)21(18,19)16-11-10-13-5-7-14(8-6-13)17(2)3/h4-9,16H,10-11H2,1-3H3
InChIKeyRPADOQRXQUANLR-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide (CID 16890450) is N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is RPADOQRXQUANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-12-4-9-15(20-12)21(18,19)16-11-10-13-5-7-14(8-6-13)17(2)3/h4-9,16H,10-11H2,1-3H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).