2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid

C17H18N2O5S — CID 1119908

IUPAC2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-13(20)18-15-7-9-16(10-8-15)25(23,24)19(12-17(21)22)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyFTTASUNHSCPFAM-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.92
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid

2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid (PubChem CID 1119908) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid
PubChem CID1119908
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c1-13(20)18-15-7-9-16(10-8-15)25(23,24)19(12-17(21)22)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyFTTASUNHSCPFAM-UHFFFAOYSA-N
XLogP1.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid (CID 1119908) is 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid?
The InChIKey is FTTASUNHSCPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-13(20)18-15-7-9-16(10-8-15)25(23,24)19(12-17(21)22)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid?
2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid has a molecular weight of 362.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetic acid is sourced from PubChem (CID 1119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).