2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid

C12H18N2O5S2 — CID 115283908

IUPAC2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H18N2O5S2/c1-3-7-21(18,19)14-8(2)11(15)13-10(12(16)17)9-5-4-6-20-9/h4-6,8,10,14H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVWRNCJVRSWJJLL-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.71
Rot. Bonds8

About 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid

2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115283908) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
PubChem CID115283908
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H18N2O5S2/c1-3-7-21(18,19)14-8(2)11(15)13-10(12(16)17)9-5-4-6-20-9/h4-6,8,10,14H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVWRNCJVRSWJJLL-UHFFFAOYSA-N
XLogP0.71
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-(2-phenylbutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284115
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278774
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid (CID 115283908) is 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid is CCCS(=O)(=O)NC(C)C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is VWRNCJVRSWJJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-3-7-21(18,19)14-8(2)11(15)13-10(12(16)17)9-5-4-6-20-9/h4-6,8,10,14H,3,7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid?
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 334.42 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).