N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide

C16H17N3OS — CID 124589580

IUPACN-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cc2ccccc2s1)Cn1ccnc1
InChIInChI=1S/C16H17N3OS/c1-12(10-19-7-6-17-11-19)9-18-16(20)15-8-13-4-2-3-5-14(13)21-15/h2-8,11-12H,9-10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyVMUOEYJPBGUWSI-GFCCVEGCSA-N
MW299.40 g/mol
LogP3.16
Rot. Bonds5

About N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide

N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide (PubChem CID 124589580) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
PubChem CID124589580
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cc2ccccc2s1)Cn1ccnc1
InChIInChI=1S/C16H17N3OS/c1-12(10-19-7-6-17-11-19)9-18-16(20)15-8-13-4-2-3-5-14(13)21-15/h2-8,11-12H,9-10H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyVMUOEYJPBGUWSI-GFCCVEGCSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
CID 71865171
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
CID 96570316
2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119859064
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570314
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 96570313

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide (CID 124589580) is N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide is C[C@H](CNC(=O)c1cc2ccccc2s1)Cn1ccnc1.
What is the InChIKey of N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VMUOEYJPBGUWSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12(10-19-7-6-17-11-19)9-18-16(20)15-8-13-4-2-3-5-14(13)21-15/h2-8,11-12H,9-10H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide?
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 124589580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).