2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid

C24H34N4O4S — CID 155539238

IUPAC2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
SMILESCC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H34N4O4S/c1-24(2,3)19-11-9-18(10-12-19)16-28(33(31,32)21-7-5-13-25-14-21)17-20-6-4-8-22(27-20)26-15-23(29)30/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,26,27)(H,29,30)
InChIKeyVSSIHLMABBTTIL-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.02
Rot. Bonds9

About 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid

2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid (PubChem CID 155539238) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
PubChem CID155539238
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
SMILESCC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H34N4O4S/c1-24(2,3)19-11-9-18(10-12-19)16-28(33(31,32)21-7-5-13-25-14-21)17-20-6-4-8-22(27-20)26-15-23(29)30/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,26,27)(H,29,30)
InChIKeyVSSIHLMABBTTIL-UHFFFAOYSA-N
XLogP4.02
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic 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

2-[[6-[[[4-(1-methylcyclopropyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid;hydrochloride
CID 70816091
3-[[6-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]propanoic acid;hydrochloride
CID 155521506
2-[[6-[[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
CID 53259984
ethyl 2-[[6-[[[4-(3-prop-1-ynylphenyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetate
CID 86295319
2-[[6-[[[4-(1-ethylcyclopropyl)phenyl]methyl-(4-fluorophenyl)sulfonylamino]methyl]-2-pyridinyl]amino]acetic acid
CID 53260285
2-[[6-[1-amino-2-[4-(1-butylcyclopropyl)phenyl]-1-pyridin-3-ylsulfonylethyl]-2-pyridinyl]amino]acetic acid
CID 70816458
2-[[6-[1-amino-2-(4-pentan-3-ylphenyl)-1-pyridin-3-ylsulfonylethyl]-2-pyridinyl]amino]acetic acid
CID 70815496
2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]anilino]acetic acid
CID 177380872
CID 66921358
CID 66921358
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
2-[[6-[[(4-tert-butylphenyl)methyl-(2-chlorophenyl)sulfonylamino]methyl]-2-pyridinyl]amino]acetic acid;hydrochloride
CID 155532594
3,3-dimethyl-2-[[6-[[[4-(1-methylcyclopropyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 70941790

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid (CID 155539238) is 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid is CC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid?
The InChIKey is VSSIHLMABBTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-24(2,3)19-11-9-18(10-12-19)16-28(33(31,32)21-7-5-13-25-14-21)17-20-6-4-8-22(27-20)26-15-23(29)30/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,26,27)(H,29,30).
What are the key properties of 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid?
2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid has a molecular weight of 474.63 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[(4-tert-butylcyclohexyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 155539238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).