N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C21H22N2O3S2 — CID 15998395

IUPACN-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N2O3S2/c1-23(16-18-11-6-3-7-12-18)21(24)19(15-17-9-4-2-5-10-17)22-28(25,26)20-13-8-14-27-20/h2-14,19,22H,15-16H2,1H3
InChIKeyJUXWZSWJHYGHRM-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.30
Rot. Bonds8

About N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 15998395) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID15998395
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N2O3S2/c1-23(16-18-11-6-3-7-12-18)21(24)19(15-17-9-4-2-5-10-17)22-28(25,26)20-13-8-14-27-20/h2-14,19,22H,15-16H2,1H3
InChIKeyJUXWZSWJHYGHRM-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 15998395) is N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is JUXWZSWJHYGHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-23(16-18-11-6-3-7-12-18)21(24)19(15-17-9-4-2-5-10-17)22-28(25,26)20-13-8-14-27-20/h2-14,19,22H,15-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 414.55 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 15998395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).