N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide

C17H23N3O5S3 — CID 24598621

IUPACN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)s1
InChIInChI=1S/C17H23N3O5S3/c1-4-20(5-2)28(24,25)16-11-8-14(26-16)12-19-17(21)13-6-9-15(10-7-13)27(22,23)18-3/h6-11,18H,4-5,12H2,1-3H3,(H,19,21)
InChIKeySJHWBRPASUHFAW-UHFFFAOYSA-N
MW445.59 g/mol
LogP1.62
Rot. Bonds9

About N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide (PubChem CID 24598621) has the molecular formula C17H23N3O5S3 and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
PubChem CID24598621
Molecular FormulaC17H23N3O5S3
Molecular Weight445.59 g/mol
Exact Mass445.08
IUPAC NameN-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)s1
InChIInChI=1S/C17H23N3O5S3/c1-4-20(5-2)28(24,25)16-11-8-14(26-16)12-19-17(21)13-6-9-15(10-7-13)27(22,23)18-3/h6-11,18H,4-5,12H2,1-3H3,(H,19,21)
InChIKeySJHWBRPASUHFAW-UHFFFAOYSA-N
XLogP1.62
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 18284337
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 43048057
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962122
4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 33306976
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24598619
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24608787
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 35211873
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide (CID 24598621) is N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)s1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is SJHWBRPASUHFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S3/c1-4-20(5-2)28(24,25)16-11-8-14(26-16)12-19-17(21)13-6-9-15(10-7-13)27(22,23)18-3/h6-11,18H,4-5,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide?
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 24598621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).