N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide

C18H17NO3S — CID 756122

IUPACN-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C18H17NO3S/c1-12(20)14-3-2-4-15(9-14)19-18(21)13-5-7-16(8-6-13)22-17-10-23-11-17/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyKSDFVYYYLMFRCB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.64
Rot. Bonds5

About N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide

N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide (PubChem CID 756122) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide
PubChem CID756122
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C18H17NO3S/c1-12(20)14-3-2-4-15(9-14)19-18(21)13-5-7-16(8-6-13)22-17-10-23-11-17/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyKSDFVYYYLMFRCB-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide (CID 756122) is N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide?
The InChIKey is KSDFVYYYLMFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12(20)14-3-2-4-15(9-14)19-18(21)13-5-7-16(8-6-13)22-17-10-23-11-17/h2-9,17H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide?
N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide has a molecular weight of 327.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(thietan-3-yloxy)benzamide is sourced from PubChem (CID 756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).