N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

C14H15ClN2O3S2 — CID 167529315

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(10-3-5-11(15)6-4-10)17-14(18)12-7-8-13(21-12)22(19,20)16-2/h3-9,16H,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyUMUZVRKPGSBXEJ-SECBINFHSA-N
MW358.87 g/mol
LogP2.80
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 167529315) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID167529315
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(10-3-5-11(15)6-4-10)17-14(18)12-7-8-13(21-12)22(19,20)16-2/h3-9,16H,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyUMUZVRKPGSBXEJ-SECBINFHSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide
CID 162436605
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 169263113
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (CID 167529315) is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is UMUZVRKPGSBXEJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9(10-3-5-11(15)6-4-10)17-14(18)12-7-8-13(21-12)22(19,20)16-2/h3-9,16H,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 167529315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).