2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide

C15H20ClN3O3S — CID 9163333

IUPAC2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O3S/c1-2-7-17-13(20)8-18-14(21)9-23-10-15(22)19-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyBAYQXFIXCSMPQE-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.65
Rot. Bonds9

About 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide

2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide (PubChem CID 9163333) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide
PubChem CID9163333
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CSCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O3S/c1-2-7-17-13(20)8-18-14(21)9-23-10-15(22)19-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyBAYQXFIXCSMPQE-UHFFFAOYSA-N
XLogP1.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 40903482
[2-(ethylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 2502076
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
[2-(butylcarbamoylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8576458
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8603313
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide (CID 9163333) is 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CSCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide?
The InChIKey is BAYQXFIXCSMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-2-7-17-13(20)8-18-14(21)9-23-10-15(22)19-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide?
2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide has a molecular weight of 357.86 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propylacetamide is sourced from PubChem (CID 9163333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).