4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide

C17H17NO3S — CID 97242912

IUPAC4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1
InChIInChI=1S/C17H17NO3S/c1-10(14-8-21-15-6-4-3-5-13(14)15)18-17(20)16-7-12(9-22-16)11(2)19/h3-7,9-10,14H,8H2,1-2H3,(H,18,20)/t10-,14-/m1/s1
InChIKeyJCGGKQSGNLYZIT-QMTHXVAHSA-N
MW315.39 g/mol
LogP3.25
Rot. Bonds4

About 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide

4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 97242912) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID97242912
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1
InChIInChI=1S/C17H17NO3S/c1-10(14-8-21-15-6-4-3-5-13(14)15)18-17(20)16-7-12(9-22-16)11(2)19/h3-7,9-10,14H,8H2,1-2H3,(H,18,20)/t10-,14-/m1/s1
InChIKeyJCGGKQSGNLYZIT-QMTHXVAHSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]thiophene-2-carboxamide
CID 75389262
1-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326853
1-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326852
5-[[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 124693697
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1H-indole-7-carboxamide
CID 97086326
1-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 99108067
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 109399087
N-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 97086331
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 97086330
4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75431685
cis-(1S,2R)-N-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-2-(3-methylphenyl)cyclopropane-1-carboxamide
CID 124859583
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide (CID 97242912) is 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide is CC(=O)c1csc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1.
What is the InChIKey of 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JCGGKQSGNLYZIT-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-10(14-8-21-15-6-4-3-5-13(14)15)18-17(20)16-7-12(9-22-16)11(2)19/h3-7,9-10,14H,8H2,1-2H3,(H,18,20)/t10-,14-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide?
4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 97242912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).