methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate

C17H24N2O4S — CID 51121045

IUPACmethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
SMILESCCCNC(=O)C(C)NC(=O)c1ccccc1SC(C)C(=O)OC
InChIInChI=1S/C17H24N2O4S/c1-5-10-18-15(20)11(2)19-16(21)13-8-6-7-9-14(13)24-12(3)17(22)23-4/h6-9,11-12H,5,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyADNYRPASIRNTFT-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.98
Rot. Bonds8

About methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate

methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate (PubChem CID 51121045) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
PubChem CID51121045
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namemethyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
SMILESCCCNC(=O)C(C)NC(=O)c1ccccc1SC(C)C(=O)OC
InChIInChI=1S/C17H24N2O4S/c1-5-10-18-15(20)11(2)19-16(21)13-8-6-7-9-14(13)24-12(3)17(22)23-4/h6-9,11-12H,5,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyADNYRPASIRNTFT-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
methyl 2-[2-(prop-2-ynylcarbamoyl)phenyl]sulfanylpropanoate
CID 60528568
methyl 2-[2-(3-phenoxypropylcarbamoyl)phenyl]sulfanylpropanoate
CID 55870912
methyl 2-[2-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]sulfanylpropanoate
CID 55875724
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
methyl 2-[2-[(4-carbamoylphenyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 51121031
methyl 2-[2-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55871591
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
methyl 2-[2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]sulfanylpropanoate
CID 60528356
methyl 2-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]sulfanylpropanoate
CID 55883515

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate?
The IUPAC name of methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate (CID 51121045) is methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate is CCCNC(=O)C(C)NC(=O)c1ccccc1SC(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate?
The InChIKey is ADNYRPASIRNTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-5-10-18-15(20)11(2)19-16(21)13-8-6-7-9-14(13)24-12(3)17(22)23-4/h6-9,11-12H,5,10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate?
methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate has a molecular weight of 352.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate is sourced from PubChem (CID 51121045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).