5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 107211414

IUPAC5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4,16H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyNDEJOCOQJAUZPN-VXGBXAGGSA-N
MW290.39 g/mol
LogP2.52
Rot. Bonds2

About 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide

5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 107211414) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID107211414
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4,16H2,(H,17,19)/t11-,12-/m1/s1
InChIKeyNDEJOCOQJAUZPN-VXGBXAGGSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxycyclohexyl)-1-benzothiophene-2-carboxamide
CID 62366799
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
CID 113467054
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 104956682
N-(2-hydroxycyclohexyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 62366470

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide (CID 107211414) is 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2c1.
What is the InChIKey of 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NDEJOCOQJAUZPN-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-10-5-6-13-9(7-10)8-14(20-13)15(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4,16H2,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide?
5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107211414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).