3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 66007256

IUPAC3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CC(O)C3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-8-2-3-11-12(4-8)20-14(13(11)16)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7,16H2,1H3,(H,17,19)
InChIKeyIMTPIWMJYYGUPO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.29
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 66007256) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID66007256
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CC(O)C3)sc2c1
InChIInChI=1S/C15H18N2O2S/c1-8-2-3-11-12(4-8)20-14(13(11)16)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7,16H2,1H3,(H,17,19)
InChIKeyIMTPIWMJYYGUPO-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107298626
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81300971
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-1-benzothiophene-2-carboxamide
CID 114889212
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 113486145
3-amino-6-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908127
3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 106215571
3-amino-6-bromo-N-(oxan-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907958
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
3-amino-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-benzothiophene-2-carboxamide
CID 80725640
3-amino-6-bromo-N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide (CID 66007256) is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCC3CC(O)C3)sc2c1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IMTPIWMJYYGUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8-2-3-11-12(4-8)20-14(13(11)16)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66007256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).