3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide

C15H15NO4S2 — CID 56827654

IUPAC3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2sccc2C2CC2)c1
InChIInChI=1S/C15H15NO4S2/c1-20-11-3-2-4-12(9-11)22(18,19)16-15(17)14-13(7-8-21-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,16,17)
InChIKeyMKSYJZRSZUMUIV-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.75
Rot. Bonds5

About 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide

3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 56827654) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide
PubChem CID56827654
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2sccc2C2CC2)c1
InChIInChI=1S/C15H15NO4S2/c1-20-11-3-2-4-12(9-11)22(18,19)16-15(17)14-13(7-8-21-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,16,17)
InChIKeyMKSYJZRSZUMUIV-UHFFFAOYSA-N
XLogP2.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide (CID 56827654) is 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2sccc2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is MKSYJZRSZUMUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-20-11-3-2-4-12(9-11)22(18,19)16-15(17)14-13(7-8-21-14)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide?
3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-methoxyphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 56827654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).