5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

C16H20N2O3S2 — CID 2807837

IUPAC5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C(N)=O)cc1
InChIInChI=1S/C16H20N2O3S2/c1-10-5-7-11(8-6-10)23(20,21)18-12-9-13(16(2,3)4)22-14(12)15(17)19/h5-9,18H,1-4H3,(H2,17,19)
InChIKeyLXFKNPNQRYQELL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.25
Rot. Bonds4

About 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 2807837) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID2807837
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C(N)=O)cc1
InChIInChI=1S/C16H20N2O3S2/c1-10-5-7-11(8-6-10)23(20,21)18-12-9-13(16(2,3)4)22-14(12)15(17)19/h5-9,18H,1-4H3,(H2,17,19)
InChIKeyLXFKNPNQRYQELL-UHFFFAOYSA-N
XLogP3.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (CID 2807837) is 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C(N)=O)cc1.
What is the InChIKey of 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is LXFKNPNQRYQELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-10-5-7-11(8-6-10)23(20,21)18-12-9-13(16(2,3)4)22-14(12)15(17)19/h5-9,18H,1-4H3,(H2,17,19).
What are the key properties of 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 2807837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).