4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide

C14H14ClN3O4S2 — CID 166203460

IUPAC4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)NC(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4S2/c1-7-11(6-10(23-7)13(16)19)24(21,22)18-12(14(17)20)8-2-4-9(15)5-3-8/h2-6,12,18H,1H3,(H2,16,19)(H2,17,20)
InChIKeyLVKIGLRITZXQDH-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.31
Rot. Bonds6

About 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide

4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide (PubChem CID 166203460) has the molecular formula C14H14ClN3O4S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
PubChem CID166203460
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.87 g/mol
Exact Mass387.01
IUPAC Name4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)NC(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4S2/c1-7-11(6-10(23-7)13(16)19)24(21,22)18-12(14(17)20)8-2-4-9(15)5-3-8/h2-6,12,18H,1H3,(H2,16,19)(H2,17,20)
InChIKeyLVKIGLRITZXQDH-UHFFFAOYSA-N
XLogP1.31
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide (CID 166203460) is 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)NC(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
The InChIKey is LVKIGLRITZXQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S2/c1-7-11(6-10(23-7)13(16)19)24(21,22)18-12(14(17)20)8-2-4-9(15)5-3-8/h2-6,12,18H,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide?
4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-1-(4-chlorophenyl)-2-oxoethyl]sulfamoyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 166203460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).