2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide

C24H27N3O3S — CID 31710027

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O
InChIInChI=1S/C24H27N3O3S/c1-24(18-10-11-18)22(29)27(23(30)26-24)14-20(28)25-21(19-7-4-12-31-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,25,28)(H,26,30)/t21-,24+/m1/s1
InChIKeyPCEAAAHNZWMTKB-QPPBQGQZSA-N
MW437.57 g/mol
LogP3.55
Rot. Bonds6

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide (PubChem CID 31710027) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
PubChem CID31710027
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O
InChIInChI=1S/C24H27N3O3S/c1-24(18-10-11-18)22(29)27(23(30)26-24)14-20(28)25-21(19-7-4-12-31-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,25,28)(H,26,30)/t21-,24+/m1/s1
InChIKeyPCEAAAHNZWMTKB-QPPBQGQZSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 24553080
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41195748
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 17475325
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553076
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide (CID 31710027) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide is C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide?
The InChIKey is PCEAAAHNZWMTKB-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-24(18-10-11-18)22(29)27(23(30)26-24)14-20(28)25-21(19-7-4-12-31-19)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-13,18,21H,2-3,5-6,10-11,14H2,1H3,(H,25,28)(H,26,30)/t21-,24+/m1/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 31710027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).