N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

C21H25N3O5S — CID 56505439

IUPACN-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)ccc1NC(C)=O
InChIInChI=1S/C21H25N3O5S/c1-15(25)22-18-9-8-17(14-19(18)29-2)23-21(26)20(16-6-4-3-5-7-16)24-10-12-30(27,28)13-11-24/h3-9,14,20H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFHUIPGCHCMJHRH-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.06
Rot. Bonds6

About N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide

N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (PubChem CID 56505439) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
PubChem CID56505439
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)ccc1NC(C)=O
InChIInChI=1S/C21H25N3O5S/c1-15(25)22-18-9-8-17(14-19(18)29-2)23-21(26)20(16-6-4-3-5-7-16)24-10-12-30(27,28)13-11-24/h3-9,14,20H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFHUIPGCHCMJHRH-UHFFFAOYSA-N
XLogP2.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 56576000
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 78899528
(2S)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 30723507
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-phenylacetamide
CID 56513025

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide (CID 56505439) is N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is COc1cc(NC(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
The InChIKey is FHUIPGCHCMJHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(25)22-18-9-8-17(14-19(18)29-2)23-21(26)20(16-6-4-3-5-7-16)24-10-12-30(27,28)13-11-24/h3-9,14,20H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide?
N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide has a molecular weight of 431.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide is sourced from PubChem (CID 56505439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).