N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide

C17H21ClN2O3S2 — CID 55370603

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1
InChIInChI=1S/C17H21ClN2O3S2/c1-3-20(4-2)25(22,23)14-6-7-15(18)16(11-14)19-17(21)8-5-13-9-10-24-12-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyJUYYKADOTKLNLL-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.00
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide (PubChem CID 55370603) has the molecular formula C17H21ClN2O3S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
PubChem CID55370603
Molecular FormulaC17H21ClN2O3S2
Molecular Weight400.95 g/mol
Exact Mass400.07
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1
InChIInChI=1S/C17H21ClN2O3S2/c1-3-20(4-2)25(22,23)14-6-7-15(18)16(11-14)19-17(21)8-5-13-9-10-24-12-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyJUYYKADOTKLNLL-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 55771526
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 17441202
methyl 4-chloro-3-(3-thiophen-3-ylpropanoylamino)benzoate
CID 39952261
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
N,N-diethyl-4-(3-thiophen-3-ylpropyl)benzenesulfonamide
CID 101025089
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051
3-[4-(diethylsulfamoyl)phenyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55922761

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide (CID 55370603) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is JUYYKADOTKLNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S2/c1-3-20(4-2)25(22,23)14-6-7-15(18)16(11-14)19-17(21)8-5-13-9-10-24-12-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 400.95 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 55370603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).