(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

C18H20N4O5S — CID 154288551

IUPAC(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc([C@H]2NC(=O)N([C@H](C(=O)Nc3nccs3)[C@@H](C)OC)C2=O)cc1
InChIInChI=1S/C18H20N4O5S/c1-10(26-2)14(15(23)21-17-19-8-9-28-17)22-16(24)13(20-18(22)25)11-4-6-12(27-3)7-5-11/h4-10,13-14H,1-3H3,(H,20,25)(H,19,21,23)/t10-,13-,14+/m1/s1
InChIKeyDKLNANCEMAGUMC-HONMWMINSA-N
MW404.45 g/mol
LogP1.79
Rot. Bonds7

About (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 154288551) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID154288551
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc([C@H]2NC(=O)N([C@H](C(=O)Nc3nccs3)[C@@H](C)OC)C2=O)cc1
InChIInChI=1S/C18H20N4O5S/c1-10(26-2)14(15(23)21-17-19-8-9-28-17)22-16(24)13(20-18(22)25)11-4-6-12(27-3)7-5-11/h4-10,13-14H,1-3H3,(H,20,25)(H,19,21,23)/t10-,13-,14+/m1/s1
InChIKeyDKLNANCEMAGUMC-HONMWMINSA-N
XLogP1.79
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(3S)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]butanoyl]amino]-1,3-thiazole-4-carboxylate
CID 89246836
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide
CID 143528480
(2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-[4-(2-amino-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 11613491
(3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 89246885
(2S,3S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 160550436
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258
2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
CID 72995063
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
(2S,3S)-2-[(4R)-4-[4-(2-amino-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
CID 11555774
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (CID 154288551) is (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is COc1ccc([C@H]2NC(=O)N([C@H](C(=O)Nc3nccs3)[C@@H](C)OC)C2=O)cc1.
What is the InChIKey of (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is DKLNANCEMAGUMC-HONMWMINSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-10(26-2)14(15(23)21-17-19-8-9-28-17)22-16(24)13(20-18(22)25)11-4-6-12(27-3)7-5-11/h4-10,13-14H,1-3H3,(H,20,25)(H,19,21,23)/t10-,13-,14+/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
(2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 404.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 154288551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).