2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid

C12H18N2O5S2 — CID 45299021

IUPAC2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-8(2)13-10(15)7-14(3)21(18,19)12-5-4-9(20-12)6-11(16)17/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyMWCDEDAHGSMUKS-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.52
Rot. Bonds7

About 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 45299021) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID45299021
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H18N2O5S2/c1-8(2)13-10(15)7-14(3)21(18,19)12-5-4-9(20-12)6-11(16)17/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyMWCDEDAHGSMUKS-UHFFFAOYSA-N
XLogP0.52
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 45299021) is 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid is CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is MWCDEDAHGSMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-8(2)13-10(15)7-14(3)21(18,19)12-5-4-9(20-12)6-11(16)17/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 45299021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).