(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C20H19ClN2OS — CID 42117371

IUPAC(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2OS/c1-23(14-19-22-11-12-25-19)20(24)13-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyXUCLCLZKRXFTQJ-GOSISDBHSA-N
MW370.91 g/mol
LogP4.98
Rot. Bonds6

About (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 42117371) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID42117371
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2OS/c1-23(14-19-22-11-12-25-19)20(24)13-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyXUCLCLZKRXFTQJ-GOSISDBHSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 56906564
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
2-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715660
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,3-diphenylpropanamide
CID 135955544
2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126819847
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678
3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 45175377
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 42117371) is (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is CN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is XUCLCLZKRXFTQJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-23(14-19-22-11-12-25-19)20(24)13-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-12,18H,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 370.91 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 42117371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).