2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide

C12H20N2O3S2 — CID 18108266

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O3S2/c1-3-4-5-8-13-11(15)10-14(2)19(16,17)12-7-6-9-18-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,13,15)
InChIKeyHPIYDMMVCHUYIG-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.67
Rot. Bonds8

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide (PubChem CID 18108266) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
PubChem CID18108266
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O3S2/c1-3-4-5-8-13-11(15)10-14(2)19(16,17)12-7-6-9-18-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,13,15)
InChIKeyHPIYDMMVCHUYIG-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.67
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

5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
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
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide (CID 18108266) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide is CCCCCNC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide?
The InChIKey is HPIYDMMVCHUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-4-5-8-13-11(15)10-14(2)19(16,17)12-7-6-9-18-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,13,15).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide has a molecular weight of 304.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide is sourced from PubChem (CID 18108266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).