(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide

C20H27ClN6O4S — CID 95275291

IUPAC(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1ccnc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)n1
InChIInChI=1S/C20H27ClN6O4S/c1-14(26-9-11-27(12-10-26)20-22-8-7-18(24-20)31-4)19(28)23-15-5-6-16(21)17(13-15)32(29,30)25(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,28)/t14-/m1/s1
InChIKeyDCFUPQUWWHLCEU-CQSZACIVSA-N
MW482.99 g/mol
LogP1.54
Rot. Bonds7

About (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide

(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 95275291) has the molecular formula C20H27ClN6O4S and a molecular weight of 482.99 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID95275291
Molecular FormulaC20H27ClN6O4S
Molecular Weight482.99 g/mol
Exact Mass482.15
IUPAC Name(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCOc1ccnc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)n1
InChIInChI=1S/C20H27ClN6O4S/c1-14(26-9-11-27(12-10-26)20-22-8-7-18(24-20)31-4)19(28)23-15-5-6-16(21)17(13-15)32(29,30)25(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,28)/t14-/m1/s1
InChIKeyDCFUPQUWWHLCEU-CQSZACIVSA-N
XLogP1.54
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
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CID 9460403
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124752672
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248339
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 93235525
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 55845623
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 172892794
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519193
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
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N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide (CID 95275291) is (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide is COc1ccnc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)n1.
What is the InChIKey of (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is DCFUPQUWWHLCEU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27ClN6O4S/c1-14(26-9-11-27(12-10-26)20-22-8-7-18(24-20)31-4)19(28)23-15-5-6-16(21)17(13-15)32(29,30)25(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,23,28)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide?
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 482.99 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95275291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).