3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide

C17H16ClN3O3S — CID 47054951

IUPAC3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C17H16ClN3O3S/c18-14-6-4-13(25-14)5-7-15(22)20-12-3-1-2-11(8-12)10-21-16(23)9-19-17(21)24/h1-4,6,8H,5,7,9-10H2,(H,19,24)(H,20,22)
InChIKeyVGNVDHAHCCZXNP-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.02
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide (PubChem CID 47054951) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
PubChem CID47054951
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C17H16ClN3O3S/c18-14-6-4-13(25-14)5-7-15(22)20-12-3-1-2-11(8-12)10-21-16(23)9-19-17(21)24/h1-4,6,8H,5,7,9-10H2,(H,19,24)(H,20,22)
InChIKeyVGNVDHAHCCZXNP-UHFFFAOYSA-N
XLogP3.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.02
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

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 60583658
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47054946
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
3-(5-chlorothiophen-2-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956783
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide (CID 47054951) is 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide is O=C(CCc1ccc(Cl)s1)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is VGNVDHAHCCZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-14-6-4-13(25-14)5-7-15(22)20-12-3-1-2-11(8-12)10-21-16(23)9-19-17(21)24/h1-4,6,8H,5,7,9-10H2,(H,19,24)(H,20,22).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 377.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 47054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).