N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide

C20H26N2O2S — CID 57127523

IUPACN-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide
SMILESCCC=C(c1ccccc1)c1ccc(N)c(NS(=O)(=O)CCCC)c1
InChIInChI=1S/C20H26N2O2S/c1-3-5-14-25(23,24)22-20-15-17(12-13-19(20)21)18(9-4-2)16-10-7-6-8-11-16/h6-13,15,22H,3-5,14,21H2,1-2H3
InChIKeyQPUMGMCBIYKPFO-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.65
Rot. Bonds8

About N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide

N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide (PubChem CID 57127523) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide
PubChem CID57127523
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide
SMILESCCC=C(c1ccccc1)c1ccc(N)c(NS(=O)(=O)CCCC)c1
InChIInChI=1S/C20H26N2O2S/c1-3-5-14-25(23,24)22-20-15-17(12-13-19(20)21)18(9-4-2)16-10-7-6-8-11-16/h6-13,15,22H,3-5,14,21H2,1-2H3
InChIKeyQPUMGMCBIYKPFO-UHFFFAOYSA-N
XLogP4.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide (CID 57127523) is N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide is CCC=C(c1ccccc1)c1ccc(N)c(NS(=O)(=O)CCCC)c1.
What is the InChIKey of N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide?
The InChIKey is QPUMGMCBIYKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-5-14-25(23,24)22-20-15-17(12-13-19(20)21)18(9-4-2)16-10-7-6-8-11-16/h6-13,15,22H,3-5,14,21H2,1-2H3.
What are the key properties of N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide?
N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 57127523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).