(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide

C28H32Cl2N4O3S — CID 155165249

IUPAC(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
SMILESCc1c(N2CCC3(CC2)Oc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C28H32Cl2N4O3S/c1-17-25(31-18(2)34(26(17)35)21-11-8-10-20(29)23(21)30)33-15-13-28(14-16-33)24(32-38(36)27(3,4)5)19-9-6-7-12-22(19)37-28/h6-12,24,32H,13-16H2,1-5H3/t24-,38-/m1/s1
InChIKeyGWVZCDURIHQHLR-MYCMVYEHSA-N
MW575.56 g/mol
LogP5.68
Rot. Bonds4

About (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155165249) has the molecular formula C28H32Cl2N4O3S and a molecular weight of 575.56 g/mol. Its IUPAC name is (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID155165249
Molecular FormulaC28H32Cl2N4O3S
Molecular Weight575.56 g/mol
Exact Mass574.16
IUPAC Name(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
SMILESCc1c(N2CCC3(CC2)Oc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C28H32Cl2N4O3S/c1-17-25(31-18(2)34(26(17)35)21-11-8-10-20(29)23(21)30)33-15-13-28(14-16-33)24(32-38(36)27(3,4)5)19-9-6-7-12-22(19)37-28/h6-12,24,32H,13-16H2,1-5H3/t24-,38-/m1/s1
InChIKeyGWVZCDURIHQHLR-MYCMVYEHSA-N
XLogP5.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.56
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
6-(2-amino-6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165297
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)
CID 158484339
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 162369004
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 157300798
3-(2-chloro-3-methylphenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 161287827
6-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155204021
3-(2,3-dichlorophenyl)-2,5-dimethyl-6-[4-methyl-4-(2-methylpropyl)azepan-1-yl]pyrimidin-4-one
CID 155623757
(R)-N-[(1S)-6-bromo-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170551994
N-[1'-[4-amino-1-methyl-6-oxo-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrimidin-2-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
CID 156704422
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methoxy-2-methylpyrimidin-4-one
CID 155184139

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide (CID 155165249) is (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide is Cc1c(N2CCC3(CC2)Oc2ccccc2[C@H]3N[S@](=O)C(C)(C)C)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GWVZCDURIHQHLR-MYCMVYEHSA-N. The full InChI is InChI=1S/C28H32Cl2N4O3S/c1-17-25(31-18(2)34(26(17)35)21-11-8-10-20(29)23(21)30)33-15-13-28(14-16-33)24(32-38(36)27(3,4)5)19-9-6-7-12-22(19)37-28/h6-12,24,32H,13-16H2,1-5H3/t24-,38-/m1/s1.
What are the key properties of (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 575.56 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R)-1'-[1-(2,3-dichlorophenyl)-2,5-dimethyl-6-oxopyrimidin-4-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155165249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).