2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid

C12H16N2O5S2 — CID 62696486

IUPAC2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NC(C(=O)O)C1CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N2O5S2/c1-14(21(18,19)10-3-2-6-20-10)7-9(15)13-11(12(16)17)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIQUJARVSNCCPOF-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.35
Rot. Bonds7

About 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid (PubChem CID 62696486) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
PubChem CID62696486
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NC(C(=O)O)C1CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H16N2O5S2/c1-14(21(18,19)10-3-2-6-20-10)7-9(15)13-11(12(16)17)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIQUJARVSNCCPOF-UHFFFAOYSA-N
XLogP0.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 79255670
N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115770771
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30789083
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid (CID 62696486) is 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid is CN(CC(=O)NC(C(=O)O)C1CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid?
The InChIKey is IQUJARVSNCCPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-14(21(18,19)10-3-2-6-20-10)7-9(15)13-11(12(16)17)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62696486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).