N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H18N2O4S3 — CID 18113796

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S3/c1-16(23(18,19)14-5-3-8-22-14)10-13(17)15-6-9-21-11-12-4-2-7-20-12/h2-5,7-8H,6,9-11H2,1H3,(H,15,17)
InChIKeyNVGZSQDDDGLOIN-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.01
Rot. Bonds9

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 18113796) has the molecular formula C14H18N2O4S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID18113796
Molecular FormulaC14H18N2O4S3
Molecular Weight374.51 g/mol
Exact Mass374.04
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S3/c1-16(23(18,19)14-5-3-8-22-14)10-13(17)15-6-9-21-11-12-4-2-7-20-12/h2-5,7-8H,6,9-11H2,1H3,(H,15,17)
InChIKeyNVGZSQDDDGLOIN-UHFFFAOYSA-N
XLogP2.01
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 2286723
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 92664005
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 46541498
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113181
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 3154152

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 18113796) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NVGZSQDDDGLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S3/c1-16(23(18,19)14-5-3-8-22-14)10-13(17)15-6-9-21-11-12-4-2-7-20-12/h2-5,7-8H,6,9-11H2,1H3,(H,15,17).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 18113796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).