4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide

C18H22N2O3S — CID 97086951

IUPAC4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)cc1-c1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-13(24(3)22)9-11-20-18(21)14-7-8-17(23-2)15(12-14)16-6-4-5-10-19-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21)/t13-,24+/m0/s1
InChIKeyHNUNYSIGILOJMW-RKNYENMMSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds7

About 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide

4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide (PubChem CID 97086951) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
PubChem CID97086951
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)cc1-c1ccccn1
InChIInChI=1S/C18H22N2O3S/c1-13(24(3)22)9-11-20-18(21)14-7-8-17(23-2)15(12-14)16-6-4-5-10-19-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21)/t13-,24+/m0/s1
InChIKeyHNUNYSIGILOJMW-RKNYENMMSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 109399395
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
CID 120517382
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
4-methoxy-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-pyridin-2-ylbenzamide
CID 99576828
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide?
The IUPAC name of 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide (CID 97086951) is 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide?
The canonical SMILES for 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide is COc1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)cc1-c1ccccn1.
What is the InChIKey of 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide?
The InChIKey is HNUNYSIGILOJMW-RKNYENMMSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(24(3)22)9-11-20-18(21)14-7-8-17(23-2)15(12-14)16-6-4-5-10-19-16/h4-8,10,12-13H,9,11H2,1-3H3,(H,20,21)/t13-,24+/m0/s1.
What are the key properties of 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide?
4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 97086951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).