3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide

C18H24N2O3S2 — CID 46391668

IUPAC3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-4-5-6-12-19-18(21)17-16(11-13-24-17)20(3)25(22,23)15-9-7-14(2)8-10-15/h7-11,13H,4-6,12H2,1-3H3,(H,19,21)
InChIKeyYTDUJPJGWCTIIA-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.80
Rot. Bonds8

About 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide

3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide (PubChem CID 46391668) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
PubChem CID46391668
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
SMILESCCCCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-4-5-6-12-19-18(21)17-16(11-13-24-17)20(3)25(22,23)15-9-7-14(2)8-10-15/h7-11,13H,4-6,12H2,1-3H3,(H,19,21)
InChIKeyYTDUJPJGWCTIIA-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 50834607
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide (CID 46391668) is 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide is CCCCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide?
The InChIKey is YTDUJPJGWCTIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-5-6-12-19-18(21)17-16(11-13-24-17)20(3)25(22,23)15-9-7-14(2)8-10-15/h7-11,13H,4-6,12H2,1-3H3,(H,19,21).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide?
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 46391668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).