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

C19H20N2O2S2 — CID 112984772

IUPACN-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCCCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H20N2O2S2/c22-25(23,19-9-5-15-24-19)21-18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-13,15,20-21H,4,8,14H2
InChIKeyDOQJLJWPICJWKV-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.59
Rot. Bonds8

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

N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 112984772) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
PubChem CID112984772
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(NCCCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C19H20N2O2S2/c22-25(23,19-9-5-15-24-19)21-18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-13,15,20-21H,4,8,14H2
InChIKeyDOQJLJWPICJWKV-UHFFFAOYSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112983618
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide (CID 112984772) is N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(NCCCc2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is DOQJLJWPICJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-25(23,19-9-5-15-24-19)21-18-12-10-17(11-13-18)20-14-4-8-16-6-2-1-3-7-16/h1-3,5-7,9-13,15,20-21H,4,8,14H2.
What are the key properties of N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide?
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 372.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112984772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).