4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C19H23N3O2S — CID 30354650

IUPAC4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-25-14-15-2-5-17(6-3-15)19(23)21-13-16-4-7-18(20-12-16)22-8-10-24-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyQGQJNBFHVHIPCF-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.71
Rot. Bonds6

About 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide

4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 30354650) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID30354650
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-25-14-15-2-5-17(6-3-15)19(23)21-13-16-4-7-18(20-12-16)22-8-10-24-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,23)
InChIKeyQGQJNBFHVHIPCF-UHFFFAOYSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 18204721
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
N-[4-[(6-morpholin-4-yl-3-pyridinyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 29320346
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 30354650) is 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is CSCc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is QGQJNBFHVHIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-25-14-15-2-5-17(6-3-15)19(23)21-13-16-4-7-18(20-12-16)22-8-10-24-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,23).
What are the key properties of 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 30354650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).