N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide

C17H22N2O3S2 — CID 6619218

IUPACN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyOYZQXDVCTKOUTO-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.71
Rot. Bonds7

About N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 6619218) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID6619218
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyOYZQXDVCTKOUTO-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 6619218) is N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is OYZQXDVCTKOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-13(2)16(18-24(21,22)15-10-7-11-23-15)17(20)19(3)12-14-8-5-4-6-9-14/h4-11,13,16,18H,12H2,1-3H3.
What are the key properties of N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 366.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 6619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).