N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide

C20H28N2O3S2 — CID 112765398

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C20H28N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-17(12-14-19)16(3)21-20(23)10-6-8-18-9-7-15-26-18/h7,9,11-16H,4-6,8,10H2,1-3H3,(H,21,23)
InChIKeyFXUZWMDBOBGJEG-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.98
Rot. Bonds10

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 112765398) has the molecular formula C20H28N2O3S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
PubChem CID112765398
Molecular FormulaC20H28N2O3S2
Molecular Weight408.59 g/mol
Exact Mass408.15
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C20H28N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-17(12-14-19)16(3)21-20(23)10-6-8-18-9-7-15-26-18/h7,9,11-16H,4-6,8,10H2,1-3H3,(H,21,23)
InChIKeyFXUZWMDBOBGJEG-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide
CID 55669247
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 60580112
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
CID 55338890
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide (CID 112765398) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is FXUZWMDBOBGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S2/c1-4-22(5-2)27(24,25)19-13-11-17(12-14-19)16(3)21-20(23)10-6-8-18-9-7-15-26-18/h7,9,11-16H,4-6,8,10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 408.59 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 112765398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).