N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

C9H13NO3S2 — CID 23548730

IUPACN-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C9H13NO3S2/c1-6(2)15(12,13)7-4-8(14-5-7)9(11)10-3/h4-6H,1-3H3,(H,10,11)
InChIKeyNWOIXNOUZNPSGW-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.29
Rot. Bonds3

About N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 23548730) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID23548730
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C9H13NO3S2/c1-6(2)15(12,13)7-4-8(14-5-7)9(11)10-3/h4-6H,1-3H3,(H,10,11)
InChIKeyNWOIXNOUZNPSGW-UHFFFAOYSA-N
XLogP1.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 23548730) is N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)C(C)C)cs1.
What is the InChIKey of N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is NWOIXNOUZNPSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-6(2)15(12,13)7-4-8(14-5-7)9(11)10-3/h4-6H,1-3H3,(H,10,11).
What are the key properties of N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 23548730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).