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

C19H26N2O3S2 — CID 9474553

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-3-21(4-2)26(23,24)18-12-10-16(11-13-18)15-20-19(22)9-5-7-17-8-6-14-25-17/h6,8,10-14H,3-5,7,9,15H2,1-2H3,(H,20,22)
InChIKeyBAYAWZQAKVDMQG-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.42
Rot. Bonds10

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

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 9474553) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID9474553
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-3-21(4-2)26(23,24)18-12-10-16(11-13-18)15-20-19(22)9-5-7-17-8-6-14-25-17/h6,8,10-14H,3-5,7,9,15H2,1-2H3,(H,20,22)
InChIKeyBAYAWZQAKVDMQG-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 9474553) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is BAYAWZQAKVDMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-3-21(4-2)26(23,24)18-12-10-16(11-13-18)15-20-19(22)9-5-7-17-8-6-14-25-17/h6,8,10-14H,3-5,7,9,15H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 394.56 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9474553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).