5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide

C14H20ClNO3S — CID 71844288

IUPAC5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C14H20ClNO3S/c1-9(2)19-13-6-5-11(15)7-12(13)14(17)16-8-10(3)20(4)18/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyJVOQSZOXOIFHDD-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide

5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide (PubChem CID 71844288) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
PubChem CID71844288
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C14H20ClNO3S/c1-9(2)19-13-6-5-11(15)7-12(13)14(17)16-8-10(3)20(4)18/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyJVOQSZOXOIFHDD-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86832151
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
methyl 4-(5-chloro-2-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82550072
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 60571431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide (CID 71844288) is 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Cl)cc1C(=O)NCC(C)S(C)=O.
What is the InChIKey of 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide?
The InChIKey is JVOQSZOXOIFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-9(2)19-13-6-5-11(15)7-12(13)14(17)16-8-10(3)20(4)18/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide?
5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide has a molecular weight of 317.84 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 71844288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).