3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid

C16H18N2O5S2 — CID 119221285

IUPAC3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-11(9-15(20)21)17-14(19)10-12-4-6-13(7-5-12)18-25(22,23)16-3-2-8-24-16/h2-8,11,18H,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyFFEYKPBVJGVDSF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.07
Rot. Bonds8

About 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid

3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid (PubChem CID 119221285) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
PubChem CID119221285
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-11(9-15(20)21)17-14(19)10-12-4-6-13(7-5-12)18-25(22,23)16-3-2-8-24-16/h2-8,11,18H,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyFFEYKPBVJGVDSF-UHFFFAOYSA-N
XLogP2.07
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55693970
N-[1-(2-methoxyphenyl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46440676
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55694978
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-(2-methylcyclohexyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 42951526
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid (CID 119221285) is 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid?
The InChIKey is FFEYKPBVJGVDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-11(9-15(20)21)17-14(19)10-12-4-6-13(7-5-12)18-25(22,23)16-3-2-8-24-16/h2-8,11,18H,9-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid?
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid has a molecular weight of 382.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 119221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).