4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid

C22H27N3O6S — CID 57391406

IUPAC4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27N3O6S/c26-21(25-18-11-9-17(10-12-18)22(27)28)15-24-32(29,30)23-14-16-5-4-8-20(13-16)31-19-6-2-1-3-7-19/h1-8,13,17-18,23-24H,9-12,14-15H2,(H,25,26)(H,27,28)
InChIKeyBREBOVQVSLZNSU-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.16
Rot. Bonds10

About 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 57391406) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID57391406
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C22H27N3O6S/c26-21(25-18-11-9-17(10-12-18)22(27)28)15-24-32(29,30)23-14-16-5-4-8-20(13-16)31-19-6-2-1-3-7-19/h1-8,13,17-18,23-24H,9-12,14-15H2,(H,25,26)(H,27,28)
InChIKeyBREBOVQVSLZNSU-UHFFFAOYSA-N
XLogP2.16
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
CID 57345556
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 57391406) is 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CNS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BREBOVQVSLZNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c26-21(25-18-11-9-17(10-12-18)22(27)28)15-24-32(29,30)23-14-16-5-4-8-20(13-16)31-19-6-2-1-3-7-19/h1-8,13,17-18,23-24H,9-12,14-15H2,(H,25,26)(H,27,28).
What are the key properties of 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 461.54 g/mol, XLogP of 2.16, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 57391406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).