N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C16H23N3O4S3 — CID 24598619

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCn2c(C)csc2=O)s1
InChIInChI=1S/C16H23N3O4S3/c1-4-18(5-2)26(22,23)15-7-6-13(25-15)10-17-14(20)8-9-19-12(3)11-24-16(19)21/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyLSNCOSOIPJVVDI-UHFFFAOYSA-N
MW417.58 g/mol
LogP2.02
Rot. Bonds9

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 24598619) has the molecular formula C16H23N3O4S3 and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID24598619
Molecular FormulaC16H23N3O4S3
Molecular Weight417.58 g/mol
Exact Mass417.09
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCn2c(C)csc2=O)s1
InChIInChI=1S/C16H23N3O4S3/c1-4-18(5-2)26(22,23)15-7-6-13(25-15)10-17-14(20)8-9-19-12(3)11-24-16(19)21/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyLSNCOSOIPJVVDI-UHFFFAOYSA-N
XLogP2.02
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24608787
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 35211873
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 43048057
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 27164523
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 26369597

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 24598619) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCn2c(C)csc2=O)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is LSNCOSOIPJVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S3/c1-4-18(5-2)26(22,23)15-7-6-13(25-15)10-17-14(20)8-9-19-12(3)11-24-16(19)21/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 417.58 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 24598619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).