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

C15H17ClN2O2S — CID 106137816

IUPAC3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2CCC(O)C2)sc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2S/c16-10-2-1-3-11-12(10)13(17)14(21-11)15(20)18-7-8-4-5-9(19)6-8/h1-3,8-9,19H,4-7,17H2,(H,18,20)
InChIKeyIDKCCNQHNNGGDY-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.03
Rot. Bonds3

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

3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 106137816) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID106137816
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCC2CCC(O)C2)sc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN2O2S/c16-10-2-1-3-11-12(10)13(17)14(21-11)15(20)18-7-8-4-5-9(19)6-8/h1-3,8-9,19H,4-7,17H2,(H,18,20)
InChIKeyIDKCCNQHNNGGDY-UHFFFAOYSA-N
XLogP3.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-bromo-N-[(3-hydroxycyclobutyl)methyl]-1-benzothiophene-2-carboxamide
CID 114889212
3-amino-4-bromo-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114888877
3-amino-N-(5-amino-5-oxopentyl)-4-chloro-1-benzothiophene-2-carboxamide
CID 106241425
3-amino-4-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114889327
3-amino-4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzothiophene-2-carboxamide
CID 114759403
3-amino-4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 106174302
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
3-amino-4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 107855016
3-amino-4-chloro-1-benzothiophene-2-carboxylic acid
CID 84791715
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 66004913
N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 103280071
3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280755

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide (CID 106137816) is 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCC2CCC(O)C2)sc2cccc(Cl)c12.
What is the InChIKey of 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IDKCCNQHNNGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-10-2-1-3-11-12(10)13(17)14(21-11)15(20)18-7-8-4-5-9(19)6-8/h1-3,8-9,19H,4-7,17H2,(H,18,20).
What are the key properties of 3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.03, 3 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-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106137816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).