2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C27H28N4O7S — CID 98419973

IUPAC2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1
InChIInChI=1S/C27H28N4O7S/c1-27(20-5-3-19-16-22(37-2)8-4-18(19)15-20)25(33)31(26(34)29-27)17-24(32)28-21-6-9-23(10-7-21)39(35,36)30-11-13-38-14-12-30/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,32)(H,29,34)/t27-/m1/s1
InChIKeySFVOCCVONAMTAV-HHHXNRCGSA-N
MW552.61 g/mol
LogP2.28
Rot. Bonds7

About 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 98419973) has the molecular formula C27H28N4O7S and a molecular weight of 552.61 g/mol. Its IUPAC name is 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID98419973
Molecular FormulaC27H28N4O7S
Molecular Weight552.61 g/mol
Exact Mass552.17
IUPAC Name2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1
InChIInChI=1S/C27H28N4O7S/c1-27(20-5-3-19-16-22(37-2)8-4-18(19)15-20)25(33)31(26(34)29-27)17-24(32)28-21-6-9-23(10-7-21)39(35,36)30-11-13-38-14-12-30/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,32)(H,29,34)/t27-/m1/s1
InChIKeySFVOCCVONAMTAV-HHHXNRCGSA-N
XLogP2.28
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.61
LogP ≤ 52.28
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

2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 40942613
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25401326
butyl 4-[[2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 3651067
butyl 4-[[2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 26058006
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41214600
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5233496
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 166185719
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2107483
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
(5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 97353864
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 98419973) is 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1.
What is the InChIKey of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SFVOCCVONAMTAV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N4O7S/c1-27(20-5-3-19-16-22(37-2)8-4-18(19)15-20)25(33)31(26(34)29-27)17-24(32)28-21-6-9-23(10-7-21)39(35,36)30-11-13-38-14-12-30/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,32)(H,29,34)/t27-/m1/s1.
What are the key properties of 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 552.61 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 98419973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).