4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide

C26H27N3O3S — CID 86299107

IUPAC4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C26H27N3O3S/c1-33-24-12-9-21(17-23(24)28-25(30)18-29-13-15-32-16-14-29)26(31)27-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyFMGUAAIPXOVHFI-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.60
Rot. Bonds7

About 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide

4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide (PubChem CID 86299107) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
PubChem CID86299107
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C26H27N3O3S/c1-33-24-12-9-21(17-23(24)28-25(30)18-29-13-15-32-16-14-29)26(31)27-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyFMGUAAIPXOVHFI-UHFFFAOYSA-N
XLogP4.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
N-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4-[2-(4-phenylphenyl)acetyl]benzamide
CID 148814669
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
CID 90459667
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide (CID 86299107) is 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide is CSc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The InChIKey is FMGUAAIPXOVHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-33-24-12-9-21(17-23(24)28-25(30)18-29-13-15-32-16-14-29)26(31)27-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide has a molecular weight of 461.59 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 86299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).