3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide

C15H17ClN2O2S — CID 114759403

IUPAC3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2(CCO)CC2)sc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2S/c16-9-2-1-3-10-11(9)12(17)13(21-10)14(20)18-8-15(4-5-15)6-7-19/h1-3,19H,4-8,17H2,(H,18,20)
InChIKeyTXQDTJGMNJKPPS-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.03
Rot. Bonds5

About 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide

3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 114759403) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID114759403
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2(CCO)CC2)sc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2S/c16-9-2-1-3-10-11(9)12(17)13(21-10)14(20)18-8-15(4-5-15)6-7-19/h1-3,19H,4-8,17H2,(H,18,20)
InChIKeyTXQDTJGMNJKPPS-UHFFFAOYSA-N
XLogP3.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107855016
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106137816
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 114759397
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
CID 115366277
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 114759400
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-4-chloro-N-thiophen-3-yl-1-benzothiophene-2-carboxamide
CID 66354000
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
3-amino-4-chloro-N-[1-(dimethylamino)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 82950351

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide (CID 114759403) is 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCC2(CCO)CC2)sc2cccc(Cl)c12.
What is the InChIKey of 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is TXQDTJGMNJKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-9-2-1-3-10-11(9)12(17)13(21-10)14(20)18-8-15(4-5-15)6-7-19/h1-3,19H,4-8,17H2,(H,18,20).
What are the key properties of 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide?
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114759403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).