N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide

C17H17N3O3S — CID 129368217

IUPACN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)s1
InChIInChI=1S/C17H17N3O3S/c1-10-6-7-13(24-10)9-14(21)18-12-5-3-4-11(8-12)17(2)15(22)19-16(23)20-17/h3-8H,9H2,1-2H3,(H,18,21)(H2,19,20,22,23)/t17-/m1/s1
InChIKeyKHEMUCFNGJAXFZ-QGZVFWFLSA-N
MW343.41 g/mol
LogP2.29
Rot. Bonds4

About N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 129368217) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID129368217
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)s1
InChIInChI=1S/C17H17N3O3S/c1-10-6-7-13(24-10)9-14(21)18-12-5-3-4-11(8-12)17(2)15(22)19-16(23)20-17/h3-8H,9H2,1-2H3,(H,18,21)(H2,19,20,22,23)/t17-/m1/s1
InChIKeyKHEMUCFNGJAXFZ-QGZVFWFLSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51949429
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949437
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51949270
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide (CID 129368217) is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)s1.
What is the InChIKey of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is KHEMUCFNGJAXFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-6-7-13(24-10)9-14(21)18-12-5-3-4-11(8-12)17(2)15(22)19-16(23)20-17/h3-8H,9H2,1-2H3,(H,18,21)(H2,19,20,22,23)/t17-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 129368217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).