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

C19H28N2O4S — CID 110353572

IUPAC2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)C2CCCC2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H28N2O4S/c1-14(15-7-3-4-8-15)19(22)20-16-9-10-18(25-2)17(13-16)21-11-5-6-12-26(21,23)24/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKCTCQKWNJTYKAT-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.39
Rot. Bonds5

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

2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide (PubChem CID 110353572) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
PubChem CID110353572
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)C2CCCC2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H28N2O4S/c1-14(15-7-3-4-8-15)19(22)20-16-9-10-18(25-2)17(13-16)21-11-5-6-12-26(21,23)24/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKCTCQKWNJTYKAT-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
CID 110622906
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
CID 110353562
N-cycloheptyl-N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]oxamide
CID 45492358
N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
CID 75269759
N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 51973291
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 124652070
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505703
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-2-fluorobenzamide
CID 112505896
1-(3-chlorophenyl)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]urea
CID 112505914
N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622991
2-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]acetamide
CID 112505906

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide?
The IUPAC name of 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide (CID 110353572) is 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)C(C)C2CCCC2)cc1N1CCCCS1(=O)=O.
What is the InChIKey of 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide?
The InChIKey is KCTCQKWNJTYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14(15-7-3-4-8-15)19(22)20-16-9-10-18(25-2)17(13-16)21-11-5-6-12-26(21,23)24/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide?
2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide has a molecular weight of 380.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 110353572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).