N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide

C16H23N3O6S — CID 75269759

IUPACN'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCC(C)O)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C16H23N3O6S/c1-11(20)10-17-15(21)16(22)18-12-5-6-13(14(9-12)25-2)19-7-3-4-8-26(19,23)24/h5-6,9,11,20H,3-4,7-8,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJYRPIMXLCQPRRN-UHFFFAOYSA-N
MW385.44 g/mol
LogP0.06
Rot. Bonds5

About N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide

N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide (PubChem CID 75269759) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
PubChem CID75269759
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC NameN'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCC(C)O)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C16H23N3O6S/c1-11(20)10-17-15(21)16(22)18-12-5-6-13(14(9-12)25-2)19-7-3-4-8-26(19,23)24/h5-6,9,11,20H,3-4,7-8,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyJYRPIMXLCQPRRN-UHFFFAOYSA-N
XLogP0.06
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
CID 110622906
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(3-methylbutyl)urea
CID 110303656
2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
CID 110353572
N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-2-fluorobenzamide
CID 112505411
N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 51973291
N-cycloheptyl-N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]oxamide
CID 45492358
trans-(1S,3S)-3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391091
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623063
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 124652070
1-(3-chlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505706
1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505703
(3R)-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434074

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide (CID 75269759) is N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide is COc1cc(NC(=O)C(=O)NCC(C)O)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide?
The InChIKey is JYRPIMXLCQPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-11(20)10-17-15(21)16(22)18-12-5-6-13(14(9-12)25-2)19-7-3-4-8-26(19,23)24/h5-6,9,11,20H,3-4,7-8,10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide?
N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide has a molecular weight of 385.44 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 75269759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).