5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid

C12H18N2O5S2 — CID 62032128

IUPAC5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NCCCCC(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O5S2/c1-14(21(18,19)12-6-4-8-20-12)9-10(15)13-7-3-2-5-11(16)17/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,15)(H,16,17)
InChIKeyZMSANFHCLSYDOD-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.74
Rot. Bonds9

About 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid

5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 62032128) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
PubChem CID62032128
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NCCCCC(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O5S2/c1-14(21(18,19)12-6-4-8-20-12)9-10(15)13-7-3-2-5-11(16)17/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,15)(H,16,17)
InChIKeyZMSANFHCLSYDOD-UHFFFAOYSA-N
XLogP0.74
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119234156
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid (CID 62032128) is 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid is CN(CC(=O)NCCCCC(=O)O)S(=O)(=O)c1cccs1.
What is the InChIKey of 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is ZMSANFHCLSYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-14(21(18,19)12-6-4-8-20-12)9-10(15)13-7-3-2-5-11(16)17/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid?
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 334.42 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 62032128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).