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

C17H17NO2S — CID 759804

IUPACN-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C17H17NO2S/c1-12-3-2-4-14(9-12)18-17(19)13-5-7-15(8-6-13)20-16-10-21-11-16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyHKTUZGYBRYCWKD-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.74
Rot. Bonds4

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

N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide (PubChem CID 759804) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide
PubChem CID759804
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1
InChIInChI=1S/C17H17NO2S/c1-12-3-2-4-14(9-12)18-17(19)13-5-7-15(8-6-13)20-16-10-21-11-16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyHKTUZGYBRYCWKD-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mepronil
CID 41632
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
4-methoxy-N-phenylbenzamide
CID 346037
RP-64477
CID 9870538
Acetamide, 2-(4-acetylphenoxy)-N-phenyl-
CID 204987

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide (CID 759804) is N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide is Cc1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide?
The InChIKey is HKTUZGYBRYCWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-3-2-4-14(9-12)18-17(19)13-5-7-15(8-6-13)20-16-10-21-11-16/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide?
N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide has a molecular weight of 299.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(thietan-3-yloxy)benzamide is sourced from PubChem (CID 759804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).