4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide

C17H19NO4S — CID 126446643

IUPAC4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide
SMILESCC(=O)c1sccc1-c1ccc(C(=O)N(C)C[C@H](O)CO)cc1
InChIInChI=1S/C17H19NO4S/c1-11(20)16-15(7-8-23-16)12-3-5-13(6-4-12)17(22)18(2)9-14(21)10-19/h3-8,14,19,21H,9-10H2,1-2H3/t14-/m0/s1
InChIKeyJIADSBYQBAYDNT-AWEZNQCLSA-N
MW333.41 g/mol
LogP2.04
Rot. Bonds6

About 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide

4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide (PubChem CID 126446643) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide
PubChem CID126446643
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide
SMILESCC(=O)c1sccc1-c1ccc(C(=O)N(C)C[C@H](O)CO)cc1
InChIInChI=1S/C17H19NO4S/c1-11(20)16-15(7-8-23-16)12-3-5-13(6-4-12)17(22)18(2)9-14(21)10-19/h3-8,14,19,21H,9-10H2,1-2H3/t14-/m0/s1
InChIKeyJIADSBYQBAYDNT-AWEZNQCLSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide?
The IUPAC name of 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide (CID 126446643) is 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide is CC(=O)c1sccc1-c1ccc(C(=O)N(C)C[C@H](O)CO)cc1.
What is the InChIKey of 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide?
The InChIKey is JIADSBYQBAYDNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11(20)16-15(7-8-23-16)12-3-5-13(6-4-12)17(22)18(2)9-14(21)10-19/h3-8,14,19,21H,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide?
4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide is sourced from PubChem (CID 126446643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).