3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide

C14H17N3O3S — CID 39969885

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccc1
InChIInChI=1S/C14H17N3O3S/c18-12(7-6-11-13(19)17-14(20)16-11)15-8-9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H2,16,17,19,20)/t11-/m0/s1
InChIKeyWROCUJNHVUVART-NSHDSACASA-N
MW307.37 g/mol
LogP0.88
Rot. Bonds7

About 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide

3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 39969885) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
PubChem CID39969885
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccc1
InChIInChI=1S/C14H17N3O3S/c18-12(7-6-11-13(19)17-14(20)16-11)15-8-9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H2,16,17,19,20)/t11-/m0/s1
InChIKeyWROCUJNHVUVART-NSHDSACASA-N
XLogP0.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70780601
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-phenylethyl)propanamide
CID 51834823
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 131930236
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 97147563
N-[2-(oxan-4-ylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 86265193
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide (CID 39969885) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccc1.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is WROCUJNHVUVART-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12(7-6-11-13(19)17-14(20)16-11)15-8-9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H2,16,17,19,20)/t11-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 307.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 39969885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).