N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C25H35N3O4S — CID 56516620

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1cccc(OC)c1
InChIInChI=1S/C25H35N3O4S/c1-4-27(5-2)23(21-12-9-13-22(18-21)32-3)19-26-25(29)24(20-10-7-6-8-11-20)28-14-16-33(30,31)17-15-28/h6-13,18,23-24H,4-5,14-17,19H2,1-3H3,(H,26,29)
InChIKeyAZHMXHNLEPSELO-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.67
Rot. Bonds10

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 56516620) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID56516620
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1cccc(OC)c1
InChIInChI=1S/C25H35N3O4S/c1-4-27(5-2)23(21-12-9-13-22(18-21)32-3)19-26-25(29)24(20-10-7-6-8-11-20)28-14-16-33(30,31)17-15-28/h6-13,18,23-24H,4-5,14-17,19H2,1-3H3,(H,26,29)
InChIKeyAZHMXHNLEPSELO-UHFFFAOYSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56513801
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-phenylacetamide
CID 56573315
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24646474
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51936361
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 56516620) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is CCN(CC)C(CNC(=O)C(c1ccccc1)N1CCS(=O)(=O)CC1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is AZHMXHNLEPSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-4-27(5-2)23(21-12-9-13-22(18-21)32-3)19-26-25(29)24(20-10-7-6-8-11-20)28-14-16-33(30,31)17-15-28/h6-13,18,23-24H,4-5,14-17,19H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 473.64 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 56516620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).