2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide

C15H24ClN3O2S — CID 87018489

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H24ClN3O2S/c1-3-7-17-14(20)10-19(8-4-2)11-15(21)18-9-12-5-6-13(16)22-12/h5-6H,3-4,7-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDBHAYBWHQBQNDR-UHFFFAOYSA-N
MW345.90 g/mol
LogP2.26
Rot. Bonds10

About 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide

2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide (PubChem CID 87018489) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
PubChem CID87018489
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C15H24ClN3O2S/c1-3-7-17-14(20)10-19(8-4-2)11-15(21)18-9-12-5-6-13(16)22-12/h5-6H,3-4,7-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDBHAYBWHQBQNDR-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 111544047
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
CID 87018436
N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
CID 87018474
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
CID 60692382
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide (CID 87018489) is 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide?
The InChIKey is DBHAYBWHQBQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2S/c1-3-7-17-14(20)10-19(8-4-2)11-15(21)18-9-12-5-6-13(16)22-12/h5-6H,3-4,7-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide?
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide has a molecular weight of 345.90 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87018489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).