2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide

C14H18N2O2S — CID 106171394

IUPAC2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide
SMILESCc1c(C(C)NCC(O)C(N)=O)sc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-8-10-5-3-4-6-12(10)19-13(8)9(2)16-7-11(17)14(15)18/h3-6,9,11,16-17H,7H2,1-2H3,(H2,15,18)
InChIKeyDSWZWTJOJBGEKW-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.71
Rot. Bonds5

About 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide

2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide (PubChem CID 106171394) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide
PubChem CID106171394
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide
SMILESCc1c(C(C)NCC(O)C(N)=O)sc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-8-10-5-3-4-6-12(10)19-13(8)9(2)16-7-11(17)14(15)18/h3-6,9,11,16-17H,7H2,1-2H3,(H2,15,18)
InChIKeyDSWZWTJOJBGEKW-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]pentan-2-ol
CID 104578742
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide
CID 115356215
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
methyl 2,3-dihydroxy-3-(3-methyl-1-benzothiophen-2-yl)propanoate
CID 171865416
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pent-4-yn-2-amine
CID 113477222
N-ethyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]ethanesulfonamide
CID 106334491
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide (CID 106171394) is 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide is Cc1c(C(C)NCC(O)C(N)=O)sc2ccccc12.
What is the InChIKey of 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide?
The InChIKey is DSWZWTJOJBGEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8-10-5-3-4-6-12(10)19-13(8)9(2)16-7-11(17)14(15)18/h3-6,9,11,16-17H,7H2,1-2H3,(H2,15,18).
What are the key properties of 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide?
2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide has a molecular weight of 278.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 106171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).