5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

C15H20N2O3S4 — CID 24532861

IUPAC5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCCSCc2ccsc2)s1
InChIInChI=1S/C15H20N2O3S4/c1-24(19,20)17-6-4-13-2-3-14(23-13)15(18)16-7-9-22-11-12-5-8-21-10-12/h2-3,5,8,10,17H,4,6-7,9,11H2,1H3,(H,16,18)
InChIKeyYHHCFQQLSQFBCL-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.56
Rot. Bonds10

About 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 24532861) has the molecular formula C15H20N2O3S4 and a molecular weight of 404.60 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID24532861
Molecular FormulaC15H20N2O3S4
Molecular Weight404.60 g/mol
Exact Mass404.04
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)NCCSCc2ccsc2)s1
InChIInChI=1S/C15H20N2O3S4/c1-24(19,20)17-6-4-13-2-3-14(23-13)15(18)16-7-9-22-11-12-5-8-21-10-12/h2-3,5,8,10,17H,4,6-7,9,11H2,1H3,(H,16,18)
InChIKeyYHHCFQQLSQFBCL-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 30600984
2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
3,5-dimethyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18158466
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 33248716
N-(3-cyclohexyloxypropyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 24532565
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
CID 39446434
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-[2-[5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24532124
N-[2-[5-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24533063

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (CID 24532861) is 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)NCCSCc2ccsc2)s1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is YHHCFQQLSQFBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S4/c1-24(19,20)17-6-4-13-2-3-14(23-13)15(18)16-7-9-22-11-12-5-8-21-10-12/h2-3,5,8,10,17H,4,6-7,9,11H2,1H3,(H,16,18).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 404.60 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24532861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).