(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide

C18H28N2O2S — CID 95626525

IUPAC(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O2S/c1-4-16(15-8-6-5-7-9-15)17(21)19-14-18(2,3)20-10-12-23(22)13-11-20/h5-9,16H,4,10-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyBUNNEMSXHKNJPA-MRXNPFEDSA-N
MW336.50 g/mol
LogP2.14
Rot. Bonds6

About (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide

(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide (PubChem CID 95626525) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide
PubChem CID95626525
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)c1ccccc1
InChIInChI=1S/C18H28N2O2S/c1-4-16(15-8-6-5-7-9-15)17(21)19-14-18(2,3)20-10-12-23(22)13-11-20/h5-9,16H,4,10-14H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyBUNNEMSXHKNJPA-MRXNPFEDSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
CID 106144537
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964
2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
CID 110353481
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide (CID 95626525) is (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide?
The InChIKey is BUNNEMSXHKNJPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-4-16(15-8-6-5-7-9-15)17(21)19-14-18(2,3)20-10-12-23(22)13-11-20/h5-9,16H,4,10-14H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide?
(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide has a molecular weight of 336.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide is sourced from PubChem (CID 95626525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).