3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

C15H19N3O2S — CID 115357356

IUPAC3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)18-11(19)8-17-14(20)13-12(16)9-6-4-5-7-10(9)21-13/h4-7H,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAALVWTXZYMHTHU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 115357356) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID115357356
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)18-11(19)8-17-14(20)13-12(16)9-6-4-5-7-10(9)21-13/h4-7H,8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAALVWTXZYMHTHU-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106358008
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 114469852
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
CID 115366277
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267136
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106106547
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 115357356) is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AALVWTXZYMHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)18-11(19)8-17-14(20)13-12(16)9-6-4-5-7-10(9)21-13/h4-7H,8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115357356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).