(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid

C28H26N2O3S — CID 77105763

IUPAC(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1CCCCC1)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1
InChIInChI=1S/C28H26N2O3S/c31-26(30-25(28(32)33)20-9-5-2-6-10-20)21-13-11-18-12-14-22(16-23(18)15-21)27-29-24(17-34-27)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,20,25H,2,5-6,9-10H2,(H,30,31)(H,32,33)/t25-/m1/s1
InChIKeyYHOMJHANNSROSS-RUZDIDTESA-N
MW470.59 g/mol
LogP6.39
Rot. Bonds6

About (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid

(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid (PubChem CID 77105763) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid
PubChem CID77105763
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)C1CCCCC1)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1
InChIInChI=1S/C28H26N2O3S/c31-26(30-25(28(32)33)20-9-5-2-6-10-20)21-13-11-18-12-14-22(16-23(18)15-21)27-29-24(17-34-27)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,20,25H,2,5-6,9-10H2,(H,30,31)(H,32,33)/t25-/m1/s1
InChIKeyYHOMJHANNSROSS-RUZDIDTESA-N
XLogP6.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
CID 90303324
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
1-N,4-N-bis[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-5-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 143936238
N-[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]-4-[4-[[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-5-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamoyl]phenyl]benzamide
CID 75060167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid (CID 77105763) is (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid is O=C(N[C@@H](C(=O)O)C1CCCCC1)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid?
The InChIKey is YHOMJHANNSROSS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26N2O3S/c31-26(30-25(28(32)33)20-9-5-2-6-10-20)21-13-11-18-12-14-22(16-23(18)15-21)27-29-24(17-34-27)19-7-3-1-4-8-19/h1,3-4,7-8,11-17,20,25H,2,5-6,9-10H2,(H,30,31)(H,32,33)/t25-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid?
(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid has a molecular weight of 470.59 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 77105763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).