N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C20H27N3O4S — CID 56513548

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCN(C)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)17(18-9-6-12-27-18)15-21-20(24)19(16-7-4-3-5-8-16)23-10-13-28(25,26)14-11-23/h3-9,12,17,19H,10-11,13-15H2,1-2H3,(H,21,24)
InChIKeyCIOVVGBRWAQIKF-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 56513548) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID56513548
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCN(C)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)17(18-9-6-12-27-18)15-21-20(24)19(16-7-4-3-5-8-16)23-10-13-28(25,26)14-11-23/h3-9,12,17,19H,10-11,13-15H2,1-2H3,(H,21,24)
InChIKeyCIOVVGBRWAQIKF-UHFFFAOYSA-N
XLogP1.47
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513801
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71926685
(2S)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 97060478
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
N-[3-[benzyl(methyl)amino]propyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516594
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 56516082
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 56513548) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is CN(C)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is CIOVVGBRWAQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-22(2)17(18-9-6-12-27-18)15-21-20(24)19(16-7-4-3-5-8-16)23-10-13-28(25,26)14-11-23/h3-9,12,17,19H,10-11,13-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 405.52 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 56513548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).