methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate

C13H17NO3S — CID 17310368

IUPACmethyl 2-[(2-propylsulfanylbenzoyl)amino]acetate
SMILESCCCSc1ccccc1C(=O)NCC(=O)OC
InChIInChI=1S/C13H17NO3S/c1-3-8-18-11-7-5-4-6-10(11)13(16)14-9-12(15)17-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyZCTAZIDRJNZKSU-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.09
Rot. Bonds6

About methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate

methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate (PubChem CID 17310368) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-propylsulfanylbenzoyl)amino]acetate
PubChem CID17310368
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-[(2-propylsulfanylbenzoyl)amino]acetate
SMILESCCCSc1ccccc1C(=O)NCC(=O)OC
InChIInChI=1S/C13H17NO3S/c1-3-8-18-11-7-5-4-6-10(11)13(16)14-9-12(15)17-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyZCTAZIDRJNZKSU-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-2-propylsulfanylbenzamide
CID 17310366
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
N-pentan-3-yl-2-propylsulfanylbenzamide
CID 17310486
2-propylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17310545
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
N,N-bis(cyanomethyl)-2-propylsulfanylbenzamide
CID 17310338
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
methyl 2-[4-(2-methoxycarbonylphenyl)sulfanylbutylsulfanyl]benzoate
CID 139077715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate (CID 17310368) is methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate is CCCSc1ccccc1C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate?
The InChIKey is ZCTAZIDRJNZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-8-18-11-7-5-4-6-10(11)13(16)14-9-12(15)17-2/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate?
methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate has a molecular weight of 267.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate is sourced from PubChem (CID 17310368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).