N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide

C16H22N2O2S2 — CID 16890852

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-13-6-11-16(21-13)22(19,20)17-12-4-5-14-7-9-15(10-8-14)18(2)3/h6-11,17H,4-5,12H2,1-3H3
InChIKeyITZZGTDIZOQORV-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.03
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide

N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide (PubChem CID 16890852) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide
PubChem CID16890852
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-13-6-11-16(21-13)22(19,20)17-12-4-5-14-7-9-15(10-8-14)18(2)3/h6-11,17H,4-5,12H2,1-3H3
InChIKeyITZZGTDIZOQORV-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide (CID 16890852) is N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)s1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is ITZZGTDIZOQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-13-6-11-16(21-13)22(19,20)17-12-4-5-14-7-9-15(10-8-14)18(2)3/h6-11,17H,4-5,12H2,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16890852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).