2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide

C17H20N8O5S2 — CID 135150032

IUPAC2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
SMILESNCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H20N8O5S2/c18-6-7-31(27,28)13-5-4-12(10-2-1-3-11(8-10)21-14(26)9-19)15(16(13)32(20,29)30)17-22-24-25-23-17/h1-5,8H,6-7,9,18-19H2,(H,21,26)(H2,20,29,30)(H,22,23,24,25)
InChIKeyKOLXJQLQKOCNIE-UHFFFAOYSA-N
MW480.53 g/mol
LogP-1.19
Rot. Bonds8

About 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide

2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 135150032) has the molecular formula C17H20N8O5S2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
PubChem CID135150032
Molecular FormulaC17H20N8O5S2
Molecular Weight480.53 g/mol
Exact Mass480.10
IUPAC Name2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
SMILESNCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H20N8O5S2/c18-6-7-31(27,28)13-5-4-12(10-2-1-3-11(8-10)21-14(26)9-19)15(16(13)32(20,29)30)17-22-24-25-23-17/h1-5,8H,6-7,9,18-19H2,(H,21,26)(H2,20,29,30)(H,22,23,24,25)
InChIKeyKOLXJQLQKOCNIE-UHFFFAOYSA-N
XLogP-1.19
TPSA229.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R)-2-amino-N-[3-[4-(2-aminoethylsulfamoyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-hydroxypropanamide
CID 135311893
2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 135149712
6-(2-aminoethylsulfonyl)-3-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150185
6-(2-aminoethylsulfonyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150221
6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149948
2-amino-3-[4-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-2-yl]propanoic acid
CID 135149889
4-[2-(2-aminoethylamino)-4-pyridinyl]-1-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311300
6-(2-aminoethylsulfonyl)-3-[6-(3-isocyanoazetidin-3-yl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 140880924
6-[(2S)-3-amino-2-hydroxypropyl]sulfonyl-3-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150135
6-(2-aminoethylsulfonyl)-3-(7-methoxy-2-methyl-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135165664
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-[4-(1-oxo-2,3-dihydroisoindol-5-yl)-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium;2,2,2-trifluoroacetate
CID 135150306

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide (CID 135150032) is 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide is NCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CN)c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is KOLXJQLQKOCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O5S2/c18-6-7-31(27,28)13-5-4-12(10-2-1-3-11(8-10)21-14(26)9-19)15(16(13)32(20,29)30)17-22-24-25-23-17/h1-5,8H,6-7,9,18-19H2,(H,21,26)(H2,20,29,30)(H,22,23,24,25).
What are the key properties of 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 480.53 g/mol, XLogP of -1.19, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 135150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).