2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide

C17H24N2O4S — CID 110622906

IUPAC2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)C(C)C2CC2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C17H24N2O4S/c1-12(13-5-6-13)17(20)18-14-7-8-15(16(11-14)23-2)19-9-3-4-10-24(19,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyCGVPLGUPAZZMLQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.61
Rot. Bonds5

About 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide

2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide (PubChem CID 110622906) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
PubChem CID110622906
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)C(C)C2CC2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C17H24N2O4S/c1-12(13-5-6-13)17(20)18-14-7-8-15(16(11-14)23-2)19-9-3-4-10-24(19,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyCGVPLGUPAZZMLQ-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
CID 110353572
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
CID 75269759
N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-2-fluorobenzamide
CID 112505411
1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505703
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(3-methylbutyl)urea
CID 110303656
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110623074
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
1-(3-chlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505706
(2S)-2-amino-N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 22689828

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide (CID 110622906) is 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide is COc1cc(NC(=O)C(C)C2CC2)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide?
The InChIKey is CGVPLGUPAZZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12(13-5-6-13)17(20)18-14-7-8-15(16(11-14)23-2)19-9-3-4-10-24(19,21)22/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide?
2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide is sourced from PubChem (CID 110622906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).