3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 115366277

IUPAC3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2(CO)CCCC2)sc2ccccc12
InChIInChI=1S/C16H20N2O2S/c17-13-11-5-1-2-6-12(11)21-14(13)15(20)18-9-16(10-19)7-3-4-8-16/h1-2,5-6,19H,3-4,7-10,17H2,(H,18,20)
InChIKeyMXUSEQADYNROHX-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide

3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 115366277) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID115366277
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2(CO)CCCC2)sc2ccccc12
InChIInChI=1S/C16H20N2O2S/c17-13-11-5-1-2-6-12(11)21-14(13)15(20)18-9-16(10-19)7-3-4-8-16/h1-2,5-6,19H,3-4,7-10,17H2,(H,18,20)
InChIKeyMXUSEQADYNROHX-UHFFFAOYSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 115457149
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
3-amino-N-(2,2-dimethylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79871174
1-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369660
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide (CID 115366277) is 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCC2(CO)CCCC2)sc2ccccc12.
What is the InChIKey of 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MXUSEQADYNROHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-13-11-5-1-2-6-12(11)21-14(13)15(20)18-9-16(10-19)7-3-4-8-16/h1-2,5-6,19H,3-4,7-10,17H2,(H,18,20).
What are the key properties of 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide?
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115366277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).