2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide

C14H20ClNOS — CID 115612538

IUPAC2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
SMILESCCC(CC)CNC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C14H20ClNOS/c1-4-10(5-2)9-16-14(17)12-8-11(18-3)6-7-13(12)15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyIBPBYWFNGRORIK-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.23
Rot. Bonds6

About 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide

2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide (PubChem CID 115612538) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
PubChem CID115612538
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
SMILESCCC(CC)CNC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C14H20ClNOS/c1-4-10(5-2)9-16-14(17)12-8-11(18-3)6-7-13(12)15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyIBPBYWFNGRORIK-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
CID 42943243
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
CID 51150496
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 65191370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide (CID 115612538) is 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide is CCC(CC)CNC(=O)c1cc(SC)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide?
The InChIKey is IBPBYWFNGRORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-4-10(5-2)9-16-14(17)12-8-11(18-3)6-7-13(12)15/h6-8,10H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide?
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide has a molecular weight of 285.84 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 115612538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).