[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

C20H26N3O2S+ — CID 8998344

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)15-6-8-16(9-7-15)18(17-5-4-12-26-17)22-14(3)19(24)23-11-10-21-20(23)25/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,25)/p+1/t14-,18-/m1/s1
InChIKeyNIAXWJCNARQRSJ-RDTXWAMCSA-O
MW372.51 g/mol
LogP2.46
Rot. Bonds6

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 8998344) has the molecular formula C20H26N3O2S+ and a molecular weight of 372.51 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID8998344
Molecular FormulaC20H26N3O2S+
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1
InChIInChI=1S/C20H25N3O2S/c1-13(2)15-6-8-16(9-7-15)18(17-5-4-12-26-17)22-14(3)19(24)23-11-10-21-20(23)25/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,25)/p+1/t14-,18-/m1/s1
InChIKeyNIAXWJCNARQRSJ-RDTXWAMCSA-O
XLogP2.46
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866682
[(2R)-1-amino-1-oxopropan-2-yl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998181
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8769578
[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8769576
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8996249
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
1-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]imidazolidin-2-one
CID 9052527
[(2S)-1-amino-1-oxopropan-2-yl]-[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 8996708
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (CID 8998344) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is CC(C)c1ccc([C@@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)c2cccs2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is NIAXWJCNARQRSJ-RDTXWAMCSA-O. The full InChI is InChI=1S/C20H25N3O2S/c1-13(2)15-6-8-16(9-7-15)18(17-5-4-12-26-17)22-14(3)19(24)23-11-10-21-20(23)25/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,25)/p+1/t14-,18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 372.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 8998344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).