N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide

C16H20N2O3S2 — CID 647357

IUPACN-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H20N2O3S2/c1-3-18(4-2)23(20,21)14-10-15(22-12-14)16(19)17-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyBWUBTNYVVCBXHZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.71
Rot. Bonds7

About N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide

N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide (PubChem CID 647357) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
PubChem CID647357
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H20N2O3S2/c1-3-18(4-2)23(20,21)14-10-15(22-12-14)16(19)17-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyBWUBTNYVVCBXHZ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
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-4-(diethylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide (CID 647357) is N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is BWUBTNYVVCBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-3-18(4-2)23(20,21)14-10-15(22-12-14)16(19)17-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide?
N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 352.48 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-4-(diethylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 647357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).