2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H18N4O4S — CID 9113456

IUPAC2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)COc2ccc(-c3nnco3)cc2)sc2c1CCCC2
InChIInChI=1S/C19H18N4O4S/c20-17(25)16-13-3-1-2-4-14(13)28-19(16)22-15(24)9-26-12-7-5-11(6-8-12)18-23-21-10-27-18/h5-8,10H,1-4,9H2,(H2,20,25)(H,22,24)
InChIKeySXVCWLCFFYEYPK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.79
Rot. Bonds6

About 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 9113456) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID9113456
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)COc2ccc(-c3nnco3)cc2)sc2c1CCCC2
InChIInChI=1S/C19H18N4O4S/c20-17(25)16-13-3-1-2-4-14(13)28-19(16)22-15(24)9-26-12-7-5-11(6-8-12)18-23-21-10-27-18/h5-8,10H,1-4,9H2,(H2,20,25)(H,22,24)
InChIKeySXVCWLCFFYEYPK-UHFFFAOYSA-N
XLogP2.79
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1083003
2-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 732279
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17093222
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3153458
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 2115735
2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18097490
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 987080
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 4123677
methyl 2-[[2-(4-cyanophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 7818567
methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 978706
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 25485899
methyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1051175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 9113456) is 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NC(=O)c1c(NC(=O)COc2ccc(-c3nnco3)cc2)sc2c1CCCC2.
What is the InChIKey of 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is SXVCWLCFFYEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c20-17(25)16-13-3-1-2-4-14(13)28-19(16)22-15(24)9-26-12-7-5-11(6-8-12)18-23-21-10-27-18/h5-8,10H,1-4,9H2,(H2,20,25)(H,22,24).
What are the key properties of 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 9113456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).