2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide

C12H18N2OS — CID 62844385

IUPAC2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
SMILESCC(C)(N)C(=O)NC1CCCc2sccc21
InChIInChI=1S/C12H18N2OS/c1-12(2,13)11(15)14-9-4-3-5-10-8(9)6-7-16-10/h6-7,9H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQEDHALXPFRRVIR-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.98
Rot. Bonds2

About 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide

2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide (PubChem CID 62844385) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
PubChem CID62844385
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
SMILESCC(C)(N)C(=O)NC1CCCc2sccc21
InChIInChI=1S/C12H18N2OS/c1-12(2,13)11(15)14-9-4-3-5-10-8(9)6-7-16-10/h6-7,9H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQEDHALXPFRRVIR-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 79812112
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 80547768
(2S)-2-amino-3,3-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butanamide
CID 62844565
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
propan-2-yl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 116655659
tert-butyl N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclopropyl]carbamate
CID 107237762
4-oxo-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoic acid
CID 62841859
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 62840901
2-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)butanoic acid
CID 79815207

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The IUPAC name of 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide (CID 62844385) is 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The canonical SMILES for 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide is CC(C)(N)C(=O)NC1CCCc2sccc21.
What is the InChIKey of 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The InChIKey is QEDHALXPFRRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,13)11(15)14-9-4-3-5-10-8(9)6-7-16-10/h6-7,9H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide is sourced from PubChem (CID 62844385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).