4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide

C13H22N2O3S2 — CID 20900822

IUPAC4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C13H22N2O3S2/c1-9(2)6-15(7-10(3)4)20(17,18)11-5-12(13(14)16)19-8-11/h5,8-10H,6-7H2,1-4H3,(H2,14,16)
InChIKeyIBSJENQGZPEGFP-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.15
Rot. Bonds7

About 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide

4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20900822) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20900822
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C13H22N2O3S2/c1-9(2)6-15(7-10(3)4)20(17,18)11-5-12(13(14)16)19-8-11/h5,8-10H,6-7H2,1-4H3,(H2,14,16)
InChIKeyIBSJENQGZPEGFP-UHFFFAOYSA-N
XLogP2.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide (CID 20900822) is 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is IBSJENQGZPEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-9(2)6-15(7-10(3)4)20(17,18)11-5-12(13(14)16)19-8-11/h5,8-10H,6-7H2,1-4H3,(H2,14,16).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide?
4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).