N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide

C20H21N3O3S — CID 53367825

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c24-20(15-22-13-11-16-5-1-2-6-19(16)22)21-17-7-9-18(10-8-17)23-12-3-4-14-27(23,25)26/h1-2,5-11,13H,3-4,12,14-15H2,(H,21,24)
InChIKeyAZSSXNGJODTCOH-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide (PubChem CID 53367825) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
PubChem CID53367825
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O3S/c24-20(15-22-13-11-16-5-1-2-6-19(16)22)21-17-7-9-18(10-8-17)23-12-3-4-14-27(23,25)26/h1-2,5-11,13H,3-4,12,14-15H2,(H,21,24)
InChIKeyAZSSXNGJODTCOH-UHFFFAOYSA-N
XLogP3.21
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53368461
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622867
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 16831288
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-phenylacetamide
CID 110622860
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42490480

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide (CID 53367825) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide?
The InChIKey is AZSSXNGJODTCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-20(15-22-13-11-16-5-1-2-6-19(16)22)21-17-7-9-18(10-8-17)23-12-3-4-14-27(23,25)26/h1-2,5-11,13H,3-4,12,14-15H2,(H,21,24).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 53367825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).