N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

C25H25N5O6S — CID 58615474

IUPACN-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3nc(C(=O)N(C)OC)cs3)C2=O)cc1
InChIInChI=1S/C25H25N5O6S/c1-29(36-3)22(32)18-14-37-24(26-18)28-21(31)19(13-15-7-5-4-6-8-15)30-23(33)20(27-25(30)34)16-9-11-17(35-2)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,27,34)(H,26,28,31)/t19-,20+/m0/s1
InChIKeyFOUTXIXIVGJWBH-VQTJNVASSA-N
MW523.57 g/mol
LogP2.63
Rot. Bonds9

About N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 58615474) has the molecular formula C25H25N5O6S and a molecular weight of 523.57 g/mol. Its IUPAC name is N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID58615474
Molecular FormulaC25H25N5O6S
Molecular Weight523.57 g/mol
Exact Mass523.15
IUPAC NameN-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3nc(C(=O)N(C)OC)cs3)C2=O)cc1
InChIInChI=1S/C25H25N5O6S/c1-29(36-3)22(32)18-14-37-24(26-18)28-21(31)19(13-15-7-5-4-6-8-15)30-23(33)20(27-25(30)34)16-9-11-17(35-2)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,27,34)(H,26,28,31)/t19-,20+/m0/s1
InChIKeyFOUTXIXIVGJWBH-VQTJNVASSA-N
XLogP2.63
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (CID 58615474) is N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc([C@H]2NC(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3nc(C(=O)N(C)OC)cs3)C2=O)cc1.
What is the InChIKey of N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FOUTXIXIVGJWBH-VQTJNVASSA-N. The full InChI is InChI=1S/C25H25N5O6S/c1-29(36-3)22(32)18-14-37-24(26-18)28-21(31)19(13-15-7-5-4-6-8-15)30-23(33)20(27-25(30)34)16-9-11-17(35-2)12-10-16/h4-12,14,19-20H,13H2,1-3H3,(H,27,34)(H,26,28,31)/t19-,20+/m0/s1.
What are the key properties of N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58615474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).