1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one

C18H21N3O2S — CID 8869687

IUPAC1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
SMILESCc1ccc([C@@H](N[C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)16(15-4-3-11-24-15)20-13(2)17(22)21-10-9-19-18(21)23/h3-8,11,13,16,20H,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyRBCZFLXHYZBJML-CZUORRHYSA-N
MW343.45 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one

1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8869687) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8869687
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
SMILESCc1ccc([C@@H](N[C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)16(15-4-3-11-24-15)20-13(2)17(22)21-10-9-19-18(21)23/h3-8,11,13,16,20H,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyRBCZFLXHYZBJML-CZUORRHYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
CID 9052527
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998344
1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8830970
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866682
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9052433
(2S)-N-(3-methylphenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052277
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765
(2R)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8869717
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8922587

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one (CID 8869687) is 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one is Cc1ccc([C@@H](N[C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1.
What is the InChIKey of 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is RBCZFLXHYZBJML-CZUORRHYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-5-7-14(8-6-12)16(15-4-3-11-24-15)20-13(2)17(22)21-10-9-19-18(21)23/h3-8,11,13,16,20H,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1.
What are the key properties of 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 343.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8869687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).