propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate

C18H18ClNO3S — CID 26864988

IUPACpropyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-3-10-23-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(24-2)8-9-16(15)19/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyZQJHZRAVOJDNBW-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.88
Rot. Bonds6

About propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate

propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate (PubChem CID 26864988) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate
PubChem CID26864988
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Namepropyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-3-10-23-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(24-2)8-9-16(15)19/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyZQJHZRAVOJDNBW-UHFFFAOYSA-N
XLogP4.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
propyl 2-chloro-5-[[2-(4-fluorobenzoyl)oxyacetyl]amino]benzoate
CID 3400030
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate (CID 26864988) is propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1.
What is the InChIKey of propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate?
The InChIKey is ZQJHZRAVOJDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-3-10-23-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(24-2)8-9-16(15)19/h4-9,11H,3,10H2,1-2H3,(H,20,21).
What are the key properties of propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate?
propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate has a molecular weight of 363.87 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-chloro-5-methylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 26864988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).