3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide

C16H22ClNO5S — CID 51923190

IUPAC3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C16H22ClNO5S/c1-3-6-23-15-13(17)8-11(9-14(15)22-4-2)16(19)18-12-5-7-24(20,21)10-12/h8-9,12H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyCJKBQSDNMVLERP-GFCCVEGCSA-N
MW375.87 g/mol
LogP2.44
Rot. Bonds7

About 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide

3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide (PubChem CID 51923190) has the molecular formula C16H22ClNO5S and a molecular weight of 375.87 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
PubChem CID51923190
Molecular FormulaC16H22ClNO5S
Molecular Weight375.87 g/mol
Exact Mass375.09
IUPAC Name3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C16H22ClNO5S/c1-3-6-23-15-13(17)8-11(9-14(15)22-4-2)16(19)18-12-5-7-24(20,21)10-12/h8-9,12H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyCJKBQSDNMVLERP-GFCCVEGCSA-N
XLogP2.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-pentoxybenzamide
CID 18848405
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 3326955
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide (CID 51923190) is 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC.
What is the InChIKey of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide?
The InChIKey is CJKBQSDNMVLERP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClNO5S/c1-3-6-23-15-13(17)8-11(9-14(15)22-4-2)16(19)18-12-5-7-24(20,21)10-12/h8-9,12H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide?
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide has a molecular weight of 375.87 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 51923190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).