5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C16H16N2O2S — CID 61138958

IUPAC5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3cc(N)ccc3s2)o1
InChIInChI=1S/C16H16N2O2S/c1-9-3-5-13(20-9)10(2)18-16(19)15-8-11-7-12(17)4-6-14(11)21-15/h3-8,10H,17H2,1-2H3,(H,18,19)
InChIKeySMOMYJONWWWOFW-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.88
Rot. Bonds3

About 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide

5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 61138958) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID61138958
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3cc(N)ccc3s2)o1
InChIInChI=1S/C16H16N2O2S/c1-9-3-5-13(20-9)10(2)18-16(19)15-8-11-7-12(17)4-6-14(11)21-15/h3-8,10H,17H2,1-2H3,(H,18,19)
InChIKeySMOMYJONWWWOFW-UHFFFAOYSA-N
XLogP3.88
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
CID 61476113
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61141048
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 61113003
5-amino-1-benzothiophene-2-carbonyl chloride
CID 18523489
5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
CID 113467054

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 61138958) is 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc3cc(N)ccc3s2)o1.
What is the InChIKey of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is SMOMYJONWWWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-3-5-13(20-9)10(2)18-16(19)15-8-11-7-12(17)4-6-14(11)21-15/h3-8,10H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61138958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).