(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide

C18H21N3O3S — CID 7443725

IUPAC(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C18H21N3O3S/c1-12(16-8-5-9-25-16)19-17(23)15-10-14(22)11-21(15)18(24)20-13-6-3-2-4-7-13/h2-9,12,14-15,22H,10-11H2,1H3,(H,19,23)(H,20,24)/t12-,14+,15-/m1/s1
InChIKeyUPLJGTINVQTYCL-VHDGCEQUSA-N
MW359.45 g/mol
LogP2.59
Rot. Bonds4

About (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide

(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 7443725) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID7443725
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C18H21N3O3S/c1-12(16-8-5-9-25-16)19-17(23)15-10-14(22)11-21(15)18(24)20-13-6-3-2-4-7-13/h2-9,12,14-15,22H,10-11H2,1H3,(H,19,23)(H,20,24)/t12-,14+,15-/m1/s1
InChIKeyUPLJGTINVQTYCL-VHDGCEQUSA-N
XLogP2.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide
CID 7443716
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2S,4S)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713053
(2R,4R)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999392
4-hydroxy-1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63292406
(2S,4S)-2-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443681
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(2S,4S)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443805
3-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81392981

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide (CID 7443725) is (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide is C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is UPLJGTINVQTYCL-VHDGCEQUSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(16-8-5-9-25-16)19-17(23)15-10-14(22)11-21(15)18(24)20-13-6-3-2-4-7-13/h2-9,12,14-15,22H,10-11H2,1H3,(H,19,23)(H,20,24)/t12-,14+,15-/m1/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide?
(2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-N-phenyl-2-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7443725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).