3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide

C18H18N2O2S2 — CID 71894859

IUPAC3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1csc2ccccc12)c1cccs1
InChIInChI=1S/C18H18N2O2S2/c1-12(21)20-15(17-7-4-8-23-17)9-18(22)19-10-13-11-24-16-6-3-2-5-14(13)16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyIHMAFXDUZYPQNN-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.85
Rot. Bonds6

About 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 71894859) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID71894859
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1csc2ccccc12)c1cccs1
InChIInChI=1S/C18H18N2O2S2/c1-12(21)20-15(17-7-4-8-23-17)9-18(22)19-10-13-11-24-16-6-3-2-5-14(13)16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyIHMAFXDUZYPQNN-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3R)-3-acetamido-3-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 26127796
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 38535821
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide (CID 71894859) is 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCc1csc2ccccc12)c1cccs1.
What is the InChIKey of 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is IHMAFXDUZYPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12(21)20-15(17-7-4-8-23-17)9-18(22)19-10-13-11-24-16-6-3-2-5-14(13)16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 358.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 71894859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).