4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide

C19H17ClN2O5S2 — CID 17494727

IUPAC4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O5S2/c20-18-8-7-17(28-18)16(23)6-9-19(24)22-13-3-1-5-15(11-13)29(25,26)21-12-14-4-2-10-27-14/h1-5,7-8,10-11,21H,6,9,12H2,(H,22,24)
InChIKeyGZAIWFCKUMBJKP-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.07
Rot. Bonds9

About 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide (PubChem CID 17494727) has the molecular formula C19H17ClN2O5S2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
PubChem CID17494727
Molecular FormulaC19H17ClN2O5S2
Molecular Weight452.94 g/mol
Exact Mass452.03
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O5S2/c20-18-8-7-17(28-18)16(23)6-9-19(24)22-13-3-1-5-15(11-13)29(25,26)21-12-14-4-2-10-27-14/h1-5,7-8,10-11,21H,6,9,12H2,(H,22,24)
InChIKeyGZAIWFCKUMBJKP-UHFFFAOYSA-N
XLogP4.07
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
4-(5-chlorothiophen-2-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 17427305
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 4964161
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide (CID 17494727) is 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide?
The InChIKey is GZAIWFCKUMBJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S2/c20-18-8-7-17(28-18)16(23)6-9-19(24)22-13-3-1-5-15(11-13)29(25,26)21-12-14-4-2-10-27-14/h1-5,7-8,10-11,21H,6,9,12H2,(H,22,24).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide has a molecular weight of 452.94 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 17494727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).