ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate

C19H21NO3S — CID 17310365

IUPACethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
SMILESCCCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C19H21NO3S/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-15-11-9-14(10-12-15)19(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyCWYYNYWUSBXTPG-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.62
Rot. Bonds7

About ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate

ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate (PubChem CID 17310365) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
PubChem CID17310365
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nameethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
SMILESCCCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C19H21NO3S/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-15-11-9-14(10-12-15)19(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyCWYYNYWUSBXTPG-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]benzoate
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N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
CID 17310557
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
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2-[[4-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785292
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
ethyl 4-propylsulfanylbenzoate
CID 82553757
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate (CID 17310365) is ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate is CCCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate?
The InChIKey is CWYYNYWUSBXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-13-24-17-8-6-5-7-16(17)18(21)20-15-11-9-14(10-12-15)19(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate?
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate has a molecular weight of 343.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate is sourced from PubChem (CID 17310365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).