2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide

C15H19ClN2OS — CID 18124346

IUPAC2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-8-17-14(19)10-18(2)9-13-15(16)11-6-4-5-7-12(11)20-13/h4-7H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyGFAXTAOLPNPKED-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.51
Rot. Bonds6

About 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide

2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 18124346) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide
PubChem CID18124346
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1sc2ccccc2c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-8-17-14(19)10-18(2)9-13-15(16)11-6-4-5-7-12(11)20-13/h4-7H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyGFAXTAOLPNPKED-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]acetic acid
CID 43442660
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]-N-propylpropanamide
CID 60664128
methyl 4-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]butanoate
CID 62012509
N'-[(3-chloro-1-benzothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 81493676
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-(methanesulfonamido)-N-methylpropanamide
CID 91830777
(2S)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-propylpyrrolidine-2-carboxamide
CID 34415077
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide (CID 18124346) is 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1sc2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is GFAXTAOLPNPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-8-17-14(19)10-18(2)9-13-15(16)11-6-4-5-7-12(11)20-13/h4-7H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide?
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 310.85 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 18124346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).