2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid

C24H25NO5S — CID 134180604

IUPAC2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cccc(C(O)(C(=O)O)c3ccccc3)c2)s1
InChIInChI=1S/C24H25NO5S/c1-23(2,3)30-22(28)25-15-19-12-13-20(31-19)16-8-7-11-18(14-16)24(29,21(26)27)17-9-5-4-6-10-17/h4-14,29H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeySJNVOZRNYCDPAH-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.76
Rot. Bonds6

About 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid

2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid (PubChem CID 134180604) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid
PubChem CID134180604
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2cccc(C(O)(C(=O)O)c3ccccc3)c2)s1
InChIInChI=1S/C24H25NO5S/c1-23(2,3)30-22(28)25-15-19-12-13-20(31-19)16-8-7-11-18(14-16)24(29,21(26)27)17-9-5-4-6-10-17/h4-14,29H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeySJNVOZRNYCDPAH-UHFFFAOYSA-N
XLogP4.76
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid with MolForge

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Related Compounds

methyl 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetate
CID 134180480
tert-butyl N-[[5-(3-phenylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358256
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
3-[5-(4-methylphenyl)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880971
tert-butyl N-[2,3-dihydroxy-3-(5-phenylthiophen-2-yl)propyl]carbamate
CID 170832840
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]carbamate
CID 168951135
tert-butyl N-[[5-(3-ethyl-5-phenylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358548
4-[[5-(3-chlorophenyl)thiophen-2-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122126863
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483
2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
CID 61220745
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid?
The IUPAC name of 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid (CID 134180604) is 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid?
The canonical SMILES for 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid is CC(C)(C)OC(=O)NCc1ccc(-c2cccc(C(O)(C(=O)O)c3ccccc3)c2)s1.
What is the InChIKey of 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid?
The InChIKey is SJNVOZRNYCDPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-23(2,3)30-22(28)25-15-19-12-13-20(31-19)16-8-7-11-18(14-16)24(29,21(26)27)17-9-5-4-6-10-17/h4-14,29H,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid?
2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid has a molecular weight of 439.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid is sourced from PubChem (CID 134180604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).