5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide

C14H23NO3S2 — CID 86947930

IUPAC5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)C(CC)CC)sc1C
InChIInChI=1S/C14H23NO3S2/c1-5-8-11-9-13(19-10(11)4)14(16)15-20(17,18)12(6-2)7-3/h9,12H,5-8H2,1-4H3,(H,15,16)
InChIKeyLVCZIQCRGIYYSK-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.26
Rot. Bonds7

About 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide

5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide (PubChem CID 86947930) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide
PubChem CID86947930
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC Name5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NS(=O)(=O)C(CC)CC)sc1C
InChIInChI=1S/C14H23NO3S2/c1-5-8-11-9-13(19-10(11)4)14(16)15-20(17,18)12(6-2)7-3/h9,12H,5-8H2,1-4H3,(H,15,16)
InChIKeyLVCZIQCRGIYYSK-UHFFFAOYSA-N
XLogP3.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119
Benzamide, p-(isopropylsulfonyl)-
CID 210035
5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide
CID 91754987
4-{[(3-Phenylpropyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900815
4-{[(3-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025141
4-[(4-Fluorophenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20842956
N-(thiophene-2-sulfonyl)benzamide
CID 738706
4-Methylthiophene-2-carboxamide
CID 2795529
4-[Benzyl(ethyl)sulfamoyl]thiophene-2-carboxamide
CID 20900842
4-[2-(4-Methylsulfanylphenyl)ethylsulfamoyl]thiophene-2-carboxamide
CID 20937326

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide (CID 86947930) is 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NS(=O)(=O)C(CC)CC)sc1C.
What is the InChIKey of 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide?
The InChIKey is LVCZIQCRGIYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-5-8-11-9-13(19-10(11)4)14(16)15-20(17,18)12(6-2)7-3/h9,12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide?
5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentan-3-ylsulfonyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 86947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).