2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C19H25N7O10S — CID 10325079

IUPAC2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H25N7O10S/c20-37(35,36)12-3-1-11(2-4-12)19(34)26-9-17(31)24-7-15(29)22-5-13(27)21-6-14(28)23-8-16(30)25-10-18(32)33/h1-4H,5-10H2,(H,21,27)(H,22,29)(H,23,28)(H,24,31)(H,25,30)(H,26,34)(H,32,33)(H2,20,35,36)
InChIKeyICNXQMRKXUIGTN-UHFFFAOYSA-N
MW543.52 g/mol
LogP-5.27
Rot. Bonds14

About 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 10325079) has the molecular formula C19H25N7O10S and a molecular weight of 543.52 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID10325079
Molecular FormulaC19H25N7O10S
Molecular Weight543.52 g/mol
Exact Mass543.14
IUPAC Name2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H25N7O10S/c20-37(35,36)12-3-1-11(2-4-12)19(34)26-9-17(31)24-7-15(29)22-5-13(27)21-6-14(28)23-8-16(30)25-10-18(32)33/h1-4H,5-10H2,(H,21,27)(H,22,29)(H,23,28)(H,24,31)(H,25,30)(H,26,34)(H,32,33)(H2,20,35,36)
InChIKeyICNXQMRKXUIGTN-UHFFFAOYSA-N
XLogP-5.27
TPSA272.06 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 5-5.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
CID 59991350
(2S)-3-methyl-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 73353110
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
(2S)-3-(4-aminophenyl)-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 73345532
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
N-ethyl-4-sulfamoylbenzamide
CID 10242881
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 10325079) is 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is ICNXQMRKXUIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O10S/c20-37(35,36)12-3-1-11(2-4-12)19(34)26-9-17(31)24-7-15(29)22-5-13(27)21-6-14(28)23-8-16(30)25-10-18(32)33/h1-4H,5-10H2,(H,21,27)(H,22,29)(H,23,28)(H,24,31)(H,25,30)(H,26,34)(H,32,33)(H2,20,35,36).
What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 543.52 g/mol, XLogP of -5.27, 14 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 10325079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).