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

C15H20N2O2S2 — CID 16890811

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-17(2)14-9-7-13(8-10-14)5-3-11-16-21(18,19)15-6-4-12-20-15/h4,6-10,12,16H,3,5,11H2,1-2H3
InChIKeyLRYGFZGPKMTSAH-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.73
Rot. Bonds7

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

N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide (PubChem CID 16890811) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
PubChem CID16890811
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-17(2)14-9-7-13(8-10-14)5-3-11-16-21(18,19)15-6-4-12-20-15/h4,6-10,12,16H,3,5,11H2,1-2H3
InChIKeyLRYGFZGPKMTSAH-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.73
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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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
N-[4-(dimethylamino)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 1263335
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 2068299
N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
N-[[5-[3-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700756
N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 970857
(4-Piperidylphenyl)(2-thienylsulfonyl)amine
CID 718035
N-[4-(cyanomethyl)phenyl]thiophene-2-sulfonamide
CID 846313

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide (CID 16890811) is N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide is CN(C)c1ccc(CCCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
The InChIKey is LRYGFZGPKMTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-17(2)14-9-7-13(8-10-14)5-3-11-16-21(18,19)15-6-4-12-20-15/h4,6-10,12,16H,3,5,11H2,1-2H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]thiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.73, 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]thiophene-2-sulfonamide is sourced from PubChem (CID 16890811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).