2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C14H22N2OS — CID 64776773

IUPAC2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1Cc2sc(N)c(C(=O)NC(C)C)c2C(C)C1
InChIInChI=1S/C14H22N2OS/c1-7(2)16-14(17)12-11-9(4)5-8(3)6-10(11)18-13(12)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyFGVJCEHOCLIHIT-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.15
Rot. Bonds2

About 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 64776773) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID64776773
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1Cc2sc(N)c(C(=O)NC(C)C)c2C(C)C1
InChIInChI=1S/C14H22N2OS/c1-7(2)16-14(17)12-11-9(4)5-8(3)6-10(11)18-13(12)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyFGVJCEHOCLIHIT-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N-diethyl-4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 64774325
(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 735029
1-(2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 65355129
methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2756506
2-amino-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43367164
propyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 82056907
methyl 4,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748236
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
2-amino-N-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17379210
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 64776773) is 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1Cc2sc(N)c(C(=O)NC(C)C)c2C(C)C1.
What is the InChIKey of 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FGVJCEHOCLIHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-7(2)16-14(17)12-11-9(4)5-8(3)6-10(11)18-13(12)15/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 64776773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).