N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C19H23N3O3S — CID 32634277

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)N(C)C)C1=O
InChIInChI=1S/C19H23N3O3S/c1-13-19(24)22(15-6-4-5-7-17(15)25-13)11-18(23)20-10-16(21(2)3)14-8-9-26-12-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,23)/t13-,16-/m1/s1
InChIKeyHNQCHDPVVMODHL-CZUORRHYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 32634277) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID32634277
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)N(C)C)C1=O
InChIInChI=1S/C19H23N3O3S/c1-13-19(24)22(15-6-4-5-7-17(15)25-13)11-18(23)20-10-16(21(2)3)14-8-9-26-12-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,23)/t13-,16-/m1/s1
InChIKeyHNQCHDPVVMODHL-CZUORRHYSA-N
XLogP2.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18167207
N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119528686
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 51535849
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 18132156
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-prop-2-enylacetamide
CID 7437477
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30856713
N-[2-(ethylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119507397

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 32634277) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)N(C)C)C1=O.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is HNQCHDPVVMODHL-CZUORRHYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-19(24)22(15-6-4-5-7-17(15)25-13)11-18(23)20-10-16(21(2)3)14-8-9-26-12-14/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,23)/t13-,16-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 32634277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).