N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C21H22N2O3S2 — CID 15987880

IUPACN-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCCc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-2-16-10-6-11-18(14-16)22-21(24)19(15-17-8-4-3-5-9-17)23-28(25,26)20-12-7-13-27-20/h3-14,19,23H,2,15H2,1H3,(H,22,24)
InChIKeyXUYTXJPLDNUWPZ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.84
Rot. Bonds8

About N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 15987880) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID15987880
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCCc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-2-16-10-6-11-18(14-16)22-21(24)19(15-17-8-4-3-5-9-17)23-28(25,26)20-12-7-13-27-20/h3-14,19,23H,2,15H2,1H3,(H,22,24)
InChIKeyXUYTXJPLDNUWPZ-UHFFFAOYSA-N
XLogP3.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 15987880) is N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is CCc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is XUYTXJPLDNUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-2-16-10-6-11-18(14-16)22-21(24)19(15-17-8-4-3-5-9-17)23-28(25,26)20-12-7-13-27-20/h3-14,19,23H,2,15H2,1H3,(H,22,24).
What are the key properties of N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 414.55 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 15987880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).