3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide

C15H19N3O2S — CID 101436550

IUPAC3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
SMILESCC(C)[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCC(N)=O
InChIInChI=1S/C15H19N3O2S/c1-10(2)13-14(20)18(11-6-4-3-5-7-11)15(21)17(13)9-8-12(16)19/h3-7,10,13H,8-9H2,1-2H3,(H2,16,19)/t13-/m0/s1
InChIKeySCVULHFBHCZUBW-ZDUSSCGKSA-N
MW305.40 g/mol
LogP1.52
Rot. Bonds5

About 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide

3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide (PubChem CID 101436550) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
PubChem CID101436550
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
SMILESCC(C)[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCC(N)=O
InChIInChI=1S/C15H19N3O2S/c1-10(2)13-14(20)18(11-6-4-3-5-7-11)15(21)17(13)9-8-12(16)19/h3-7,10,13H,8-9H2,1-2H3,(H2,16,19)/t13-/m0/s1
InChIKeySCVULHFBHCZUBW-ZDUSSCGKSA-N
XLogP1.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 51469362
(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306788
3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide
CID 15031687
(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 102382980
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 3034583
(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 172524175
5-(2-chloroacetyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054936
2-[3-(3-methoxypropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 18801819
2-(3-amino-3-oxopropyl)-1-(4-carbamimidoylphenyl)-4,6-dioxo-5-phenyl-3-propan-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 21476565
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
CID 6939094
(5R)-1-benzyl-5-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 35674628

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide?
The IUPAC name of 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide (CID 101436550) is 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide?
The canonical SMILES for 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide is CC(C)[C@H]1C(=O)N(c2ccccc2)C(=S)N1CCC(N)=O.
What is the InChIKey of 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide?
The InChIKey is SCVULHFBHCZUBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)13-14(20)18(11-6-4-3-5-7-11)15(21)17(13)9-8-12(16)19/h3-7,10,13H,8-9H2,1-2H3,(H2,16,19)/t13-/m0/s1.
What are the key properties of 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide?
3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide is sourced from PubChem (CID 101436550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).