N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

C18H21N7O3S — CID 118266119

IUPACN-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H21N7O3S/c1-25(2)11-10-20-18(26)13-8-6-12(7-9-13)14-4-3-5-15(29(19,27)28)16(14)17-21-23-24-22-17/h3-9H,10-11H2,1-2H3,(H,20,26)(H2,19,27,28)(H,21,22,23,24)
InChIKeyNTAYTXHOPMMQHW-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.47
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 118266119) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID118266119
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H21N7O3S/c1-25(2)11-10-20-18(26)13-8-6-12(7-9-13)14-4-3-5-15(29(19,27)28)16(14)17-21-23-24-22-17/h3-9H,10-11H2,1-2H3,(H,20,26)(H2,19,27,28)(H,21,22,23,24)
InChIKeyNTAYTXHOPMMQHW-UHFFFAOYSA-N
XLogP0.47
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 118266119) is N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is NTAYTXHOPMMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-25(2)11-10-20-18(26)13-8-6-12(7-9-13)14-4-3-5-15(29(19,27)28)16(14)17-21-23-24-22-17/h3-9H,10-11H2,1-2H3,(H,20,26)(H2,19,27,28)(H,21,22,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 415.48 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118266119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).