4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid

C11H16BrNO4S2 — CID 54875088

IUPAC4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
SMILESCCN(Cc1ccc(Br)s1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H16BrNO4S2/c1-2-13(8-9-5-6-10(12)18-9)19(16,17)7-3-4-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyLAXCWNGGVGHGJQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.53
Rot. Bonds8

About 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid

4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid (PubChem CID 54875088) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
PubChem CID54875088
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
SMILESCCN(Cc1ccc(Br)s1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H16BrNO4S2/c1-2-13(8-9-5-6-10(12)18-9)19(16,17)7-3-4-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyLAXCWNGGVGHGJQ-UHFFFAOYSA-N
XLogP2.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzenesulfonamide
CID 60652378

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid (CID 54875088) is 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid is CCN(Cc1ccc(Br)s1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid?
The InChIKey is LAXCWNGGVGHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-2-13(8-9-5-6-10(12)18-9)19(16,17)7-3-4-11(14)15/h5-6H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid?
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid has a molecular weight of 370.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 54875088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).