4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide

C17H17N3O3S — CID 122159303

IUPAC4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1C
InChIInChI=1S/C17H17N3O3S/c1-9-10(2)24-8-13(9)14(21)18-12-6-4-5-11(7-12)17(3)15(22)19-16(23)20-17/h4-8H,1-3H3,(H,18,21)(H2,19,20,22,23)
InChIKeyVLWCQQFIKYHUAR-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.67
Rot. Bonds3

About 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide

4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide (PubChem CID 122159303) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
PubChem CID122159303
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1C
InChIInChI=1S/C17H17N3O3S/c1-9-10(2)24-8-13(9)14(21)18-12-6-4-5-11(7-12)17(3)15(22)19-16(23)20-17/h4-8H,1-3H3,(H,18,21)(H2,19,20,22,23)
InChIKeyVLWCQQFIKYHUAR-UHFFFAOYSA-N
XLogP2.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.67
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

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
CID 154859735
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623016
4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55723008
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
4,5-dimethyl-N-phenylthiophene-3-carboxamide
CID 3475307
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide (CID 122159303) is 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide is Cc1scc(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is VLWCQQFIKYHUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-10(2)24-8-13(9)14(21)18-12-6-4-5-11(7-12)17(3)15(22)19-16(23)20-17/h4-8H,1-3H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide?
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122159303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).