N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C21H19ClN2O5S2 — CID 4211075

IUPACN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-6-3-2-5-16(18)24-31(27,28)20-13-14(8-9-15(20)22)23-21(26)11-10-17(25)19-7-4-12-30-19/h2-9,12-13,24H,10-11H2,1H3,(H,23,26)
InChIKeyYZTULPUTWNUZNY-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.81
Rot. Bonds9

About N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 4211075) has the molecular formula C21H19ClN2O5S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID4211075
Molecular FormulaC21H19ClN2O5S2
Molecular Weight478.98 g/mol
Exact Mass478.04
IUPAC NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-6-3-2-5-16(18)24-31(27,28)20-13-14(8-9-15(20)22)23-21(26)11-10-17(25)19-7-4-12-30-19/h2-9,12-13,24H,10-11H2,1H3,(H,23,26)
InChIKeyYZTULPUTWNUZNY-UHFFFAOYSA-N
XLogP4.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 4211075) is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(=O)c2cccs2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is YZTULPUTWNUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S2/c1-29-18-6-3-2-5-16(18)24-31(27,28)20-13-14(8-9-15(20)22)23-21(26)11-10-17(25)19-7-4-12-30-19/h2-9,12-13,24H,10-11H2,1H3,(H,23,26).
What are the key properties of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 478.98 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 4211075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).