2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide

C21H26N4O4S — CID 56574883

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-16-7-9-18(10-8-16)22-15-19(26)23-24-21(27)20(17-5-3-2-4-6-17)25-11-13-30(28,29)14-12-25/h2-10,20,22H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyORBUWNVDGLPYCD-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.03
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide (PubChem CID 56574883) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide
PubChem CID56574883
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-16-7-9-18(10-8-16)22-15-19(26)23-24-21(27)20(17-5-3-2-4-6-17)25-11-13-30(28,29)14-12-25/h2-10,20,22H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyORBUWNVDGLPYCD-UHFFFAOYSA-N
XLogP1.03
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dimethylphenoxy)acetyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetohydrazide
CID 56573823
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505983
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-2-hydroxybenzohydrazide
CID 56506321
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-(2-phenylbutyl)acetamide
CID 56516854
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N'-(2,3,4-trifluorophenyl)acetohydrazide
CID 56577436
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide
CID 56574851
ethyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516688
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56515058

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide (CID 56574883) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide is Cc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide?
The InChIKey is ORBUWNVDGLPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-16-7-9-18(10-8-16)22-15-19(26)23-24-21(27)20(17-5-3-2-4-6-17)25-11-13-30(28,29)14-12-25/h2-10,20,22H,11-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide has a molecular weight of 430.53 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-[2-(4-methylanilino)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 56574883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).