3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide

C15H20ClNO4S — CID 110762432

IUPAC3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C15H20ClNO4S/c1-10(2)21-14-5-4-11(8-13(14)16)15(18)17(3)12-6-7-22(19,20)9-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyGOAKWUSYDWYVHC-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.39
Rot. Bonds4

About 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide (PubChem CID 110762432) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide
PubChem CID110762432
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1Cl
InChIInChI=1S/C15H20ClNO4S/c1-10(2)21-14-5-4-11(8-13(14)16)15(18)17(3)12-6-7-22(19,20)9-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyGOAKWUSYDWYVHC-UHFFFAOYSA-N
XLogP2.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
3-amino-4,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 61102704
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide (CID 110762432) is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1Cl.
What is the InChIKey of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide?
The InChIKey is GOAKWUSYDWYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-10(2)21-14-5-4-11(8-13(14)16)15(18)17(3)12-6-7-22(19,20)9-12/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide?
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide has a molecular weight of 345.85 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 110762432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).