N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide

C15H20N2O2S2 — CID 61474553

IUPACN-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-2-9-17-21(18,19)15-5-3-14(4-6-15)16-10-7-13-8-11-20-12-13/h3-6,8,11-12,16-17H,2,7,9-10H2,1H3
InChIKeyDNMBHVCLHMTAFM-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.09
Rot. Bonds8

About N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide

N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide (PubChem CID 61474553) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
PubChem CID61474553
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-2-9-17-21(18,19)15-5-3-14(4-6-15)16-10-7-13-8-11-20-12-13/h3-6,8,11-12,16-17H,2,7,9-10H2,1H3
InChIKeyDNMBHVCLHMTAFM-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-(2-thiophen-3-ylethyl)aniline
CID 54954134
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline
CID 65025347
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
N-propyl-4-(2-prop-2-ynylsulfanylethylamino)benzenesulfonamide
CID 106430482
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide?
The IUPAC name of N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide (CID 61474553) is N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCCc2ccsc2)cc1.
What is the InChIKey of N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide?
The InChIKey is DNMBHVCLHMTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-2-9-17-21(18,19)15-5-3-14(4-6-15)16-10-7-13-8-11-20-12-13/h3-6,8,11-12,16-17H,2,7,9-10H2,1H3.
What are the key properties of N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide?
N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 61474553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).