3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide

C21H26N6O3S2 — CID 55609222

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-n3nnnc3SC)c2)cc1
InChIInChI=1S/C21H26N6O3S2/c1-4-26(5-2)32(29,30)19-12-9-16(10-13-19)11-14-20(28)22-17-7-6-8-18(15-17)27-21(31-3)23-24-25-27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,28)
InChIKeyIKTQUEZTJUGYEL-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.99
Rot. Bonds10

About 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide (PubChem CID 55609222) has the molecular formula C21H26N6O3S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
PubChem CID55609222
Molecular FormulaC21H26N6O3S2
Molecular Weight474.61 g/mol
Exact Mass474.15
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-n3nnnc3SC)c2)cc1
InChIInChI=1S/C21H26N6O3S2/c1-4-26(5-2)32(29,30)19-12-9-16(10-13-19)11-14-20(28)22-17-7-6-8-18(15-17)27-21(31-3)23-24-25-27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,28)
InChIKeyIKTQUEZTJUGYEL-UHFFFAOYSA-N
XLogP2.99
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55608986
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55571943
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 38682339
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55609154

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide (CID 55609222) is 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-n3nnnc3SC)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is IKTQUEZTJUGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S2/c1-4-26(5-2)32(29,30)19-12-9-16(10-13-19)11-14-20(28)22-17-7-6-8-18(15-17)27-21(31-3)23-24-25-27/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,22,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 474.61 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55609222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).