N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide

C15H20N2O3S2 — CID 99828468

IUPACN-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
SMILESC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1cc2ccccc2s1
InChIInChI=1S/C15H20N2O3S2/c1-11(14-10-12-6-4-5-7-13(12)21-14)16-15(18)8-9-22(19,20)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyIREUNYURRNPFAT-LLVKDONJSA-N
MW340.47 g/mol
LogP2.36
Rot. Bonds6

About N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide

N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide (PubChem CID 99828468) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
PubChem CID99828468
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
SMILESC[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1cc2ccccc2s1
InChIInChI=1S/C15H20N2O3S2/c1-11(14-10-12-6-4-5-7-13(12)21-14)16-15(18)8-9-22(19,20)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyIREUNYURRNPFAT-LLVKDONJSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
The IUPAC name of N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide (CID 99828468) is N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
The canonical SMILES for N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide is C[C@@H](NC(=O)CCS(=O)(=O)N(C)C)c1cc2ccccc2s1.
What is the InChIKey of N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
The InChIKey is IREUNYURRNPFAT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-11(14-10-12-6-4-5-7-13(12)21-14)16-15(18)8-9-22(19,20)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide?
N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide is sourced from PubChem (CID 99828468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).