N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide

C17H24N2OS — CID 115356215

IUPACN-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide
SMILESCc1c(C(C)NCC(=O)NC(C)(C)C)sc2ccccc12
InChIInChI=1S/C17H24N2OS/c1-11-13-8-6-7-9-14(13)21-16(11)12(2)18-10-15(20)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,20)
InChIKeyBULUYSMLOGRGBL-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.78
Rot. Bonds4

About N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide

N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide (PubChem CID 115356215) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide
PubChem CID115356215
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide
SMILESCc1c(C(C)NCC(=O)NC(C)(C)C)sc2ccccc12
InChIInChI=1S/C17H24N2OS/c1-11-13-8-6-7-9-14(13)21-16(11)12(2)18-10-15(20)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,20)
InChIKeyBULUYSMLOGRGBL-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
2(1H)-Pyridinone, 3-((benzo(b)thien-2-ylmethyl)amino)-5-ethyl-6-methyl-
CID 454387
Thionaphthene, 2-[1-aminoacetamino-1-cyclohexyl]-
CID 398394
Ethan-1,2-diamine, N-[1-(2-thionaphthenyl)cyclohexyl]-N'-methyl-
CID 611997
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
1,2,3,4-Tetrahydro-benzo[4,5]thieno[2,3-c]pyridine-3-carboxylic acid cyclohexylamide
CID 131108
N-dehydroxyzileuton
CID 10104880
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine
CID 398351
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine
CID 398353
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine
CID 10038968

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide (CID 115356215) is N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide is Cc1c(C(C)NCC(=O)NC(C)(C)C)sc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide?
The InChIKey is BULUYSMLOGRGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-13-8-6-7-9-14(13)21-16(11)12(2)18-10-15(20)19-17(3,4)5/h6-9,12,18H,10H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide?
N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide has a molecular weight of 304.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetamide is sourced from PubChem (CID 115356215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).