2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid

C16H15N3O6S — CID 45307830

IUPAC2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C16H15N3O6S/c17-15(22)10-3-7-13(8-4-10)26(24,25)19-12-5-1-11(2-6-12)16(23)18-9-14(20)21/h1-8,19H,9H2,(H2,17,22)(H,18,23)(H,20,21)
InChIKeyPMFAWPMJDHLMOT-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.40
Rot. Bonds7

About 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid

2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid (PubChem CID 45307830) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
PubChem CID45307830
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Name2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C16H15N3O6S/c17-15(22)10-3-7-13(8-4-10)26(24,25)19-12-5-1-11(2-6-12)16(23)18-9-14(20)21/h1-8,19H,9H2,(H2,17,22)(H,18,23)(H,20,21)
InChIKeyPMFAWPMJDHLMOT-UHFFFAOYSA-N
XLogP0.40
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
2-[[4-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 55878671
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid
CID 28550291
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid (CID 45307830) is 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid is NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid?
The InChIKey is PMFAWPMJDHLMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c17-15(22)10-3-7-13(8-4-10)26(24,25)19-12-5-1-11(2-6-12)16(23)18-9-14(20)21/h1-8,19H,9H2,(H2,17,22)(H,18,23)(H,20,21).
What are the key properties of 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid?
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid has a molecular weight of 377.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).