2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid

C25H30N4O5S — CID 10207095

IUPAC2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCN(Cc4nc[nH]c4C)CC3)cc2)cc1
InChIInChI=1S/C25H30N4O5S/c1-17-23(27-16-26-17)15-29-13-11-20(12-14-29)24(25(30)31)28-35(32,33)22-9-5-19(6-10-22)18-3-7-21(34-2)8-4-18/h3-10,16,20,24,28H,11-15H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyDSJJVWVZJCNOBA-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.04
Rot. Bonds9

About 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid

2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 10207095) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID10207095
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCN(Cc4nc[nH]c4C)CC3)cc2)cc1
InChIInChI=1S/C25H30N4O5S/c1-17-23(27-16-26-17)15-29-13-11-20(12-14-29)24(25(30)31)28-35(32,33)22-9-5-19(6-10-22)18-3-7-21(34-2)8-4-18/h3-10,16,20,24,28H,11-15H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyDSJJVWVZJCNOBA-UHFFFAOYSA-N
XLogP3.04
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetic acid
CID 70035756
2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-(3-methylbutanoyl)piperidin-4-yl]acetic acid
CID 11070986
2-[4-[benzyl(methylsulfonyl)amino]cyclohexyl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetic acid
CID 10121172
(2R)-2-[(1S,4S)-2-bromo-4-hydroxycyclohex-2-en-1-yl]-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetic acid
CID 101103825
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
methyl (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-2-(4-hydroxycyclohexyl)acetate
CID 91120603
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 32524131
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid (CID 10207095) is 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid is COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCN(Cc4nc[nH]c4C)CC3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is DSJJVWVZJCNOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-17-23(27-16-26-17)15-29-13-11-20(12-14-29)24(25(30)31)28-35(32,33)22-9-5-19(6-10-22)18-3-7-21(34-2)8-4-18/h3-10,16,20,24,28H,11-15H2,1-2H3,(H,26,27)(H,30,31).
What are the key properties of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid?
2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 498.61 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 10207095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).