N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide

C18H22N2O2S — CID 119137508

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCC1(C)Cc2cccc(CNCCNC(=O)c3cccs3)c2O1
InChIInChI=1S/C18H22N2O2S/c1-18(2)11-13-5-3-6-14(16(13)22-18)12-19-8-9-20-17(21)15-7-4-10-23-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyCXPLDSDCEYWVNM-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 119137508) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID119137508
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCC1(C)Cc2cccc(CNCCNC(=O)c3cccs3)c2O1
InChIInChI=1S/C18H22N2O2S/c1-18(2)11-13-5-3-6-14(16(13)22-18)12-19-8-9-20-17(21)15-7-4-10-23-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyCXPLDSDCEYWVNM-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 64508823
ethyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]butanoate
CID 64580653
N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 99795253
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731540
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-ethenoxypropan-1-amine
CID 64508814
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115641542

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide (CID 119137508) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide is CC1(C)Cc2cccc(CNCCNC(=O)c3cccs3)c2O1.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is CXPLDSDCEYWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18(2)11-13-5-3-6-14(16(13)22-18)12-19-8-9-20-17(21)15-7-4-10-23-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119137508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).