N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide

C17H17NO3S — CID 762074

IUPACN-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(OC2CSC2)cc1
InChIInChI=1S/C17H17NO3S/c1-20-16-5-3-2-4-15(16)18-17(19)12-6-8-13(9-7-12)21-14-10-22-11-14/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKeyPQQSVOHLPWMWDV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.44
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide

N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide (PubChem CID 762074) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide
PubChem CID762074
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(OC2CSC2)cc1
InChIInChI=1S/C17H17NO3S/c1-20-16-5-3-2-4-15(16)18-17(19)12-6-8-13(9-7-12)21-14-10-22-11-14/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKeyPQQSVOHLPWMWDV-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
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CID 2677066
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide (CID 762074) is N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide is COc1ccccc1NC(=O)c1ccc(OC2CSC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide?
The InChIKey is PQQSVOHLPWMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-20-16-5-3-2-4-15(16)18-17(19)12-6-8-13(9-7-12)21-14-10-22-11-14/h2-9,14H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide?
N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide has a molecular weight of 315.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide is sourced from PubChem (CID 762074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).