(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

C19H23N5O2S — CID 99809312

IUPAC(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCc1cc(Sc2ncccn2)ccc1NC(=O)N1CCNC(=O)[C@H]1C(C)C
InChIInChI=1S/C19H23N5O2S/c1-12(2)16-17(25)20-9-10-24(16)19(26)23-15-6-5-14(11-13(15)3)27-18-21-7-4-8-22-18/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,25)(H,23,26)/t16-/m1/s1
InChIKeyPRHYFPONXNVRSC-MRXNPFEDSA-N
MW385.49 g/mol
LogP2.92
Rot. Bonds4

About (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 99809312) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID99809312
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCc1cc(Sc2ncccn2)ccc1NC(=O)N1CCNC(=O)[C@H]1C(C)C
InChIInChI=1S/C19H23N5O2S/c1-12(2)16-17(25)20-9-10-24(16)19(26)23-15-6-5-14(11-13(15)3)27-18-21-7-4-8-22-18/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,25)(H,23,26)/t16-/m1/s1
InChIKeyPRHYFPONXNVRSC-MRXNPFEDSA-N
XLogP2.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
CID 120591213
(1S)-2,2-dichloro-1-methyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 52532467
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-prop-2-enylurea
CID 60620266
(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide
CID 96560368
1-[1-(4-chlorophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554553
1-[1-(2,4-difluorophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554743
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554744
1-[(1S)-1-(3-bromophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 52528425
N-(5-chloro-2-methylphenyl)-3-oxo-3-[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]propanamide
CID 95128318

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (CID 99809312) is (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCNC(=O)[C@H]1C(C)C.
What is the InChIKey of (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is PRHYFPONXNVRSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12(2)16-17(25)20-9-10-24(16)19(26)23-15-6-5-14(11-13(15)3)27-18-21-7-4-8-22-18/h4-8,11-12,16H,9-10H2,1-3H3,(H,20,25)(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 99809312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).