3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide

C15H18N2O2S2 — CID 107932536

IUPAC3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCS(=O)CC3)c(N)c2c1
InChIInChI=1S/C15H18N2O2S2/c1-9-2-3-12-11(8-9)13(16)14(20-12)15(18)17-10-4-6-21(19)7-5-10/h2-3,8,10H,4-7,16H2,1H3,(H,17,18)
InChIKeyFTSCGEGVASAILK-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.43
Rot. Bonds2

About 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107932536) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID107932536
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCS(=O)CC3)c(N)c2c1
InChIInChI=1S/C15H18N2O2S2/c1-9-2-3-12-11(8-9)13(16)14(20-12)15(18)17-10-4-6-21(19)7-5-10/h2-3,8,10H,4-7,16H2,1H3,(H,17,18)
InChIKeyFTSCGEGVASAILK-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 107932175
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932329
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide (CID 107932536) is 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCS(=O)CC3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is FTSCGEGVASAILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-2-3-12-11(8-9)13(16)14(20-12)15(18)17-10-4-6-21(19)7-5-10/h2-3,8,10H,4-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).