N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

C27H34N2O5S — CID 157391635

IUPACN-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc([C@@H]2CC2CCCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H34N2O5S/c1-20-9-11-21(12-10-20)24-18-23(24)8-5-17-35(32,33)19-25(27(31)29-13-15-34-16-14-29)28-26(30)22-6-3-2-4-7-22/h2-4,6-7,9-12,23-25H,5,8,13-19H2,1H3,(H,28,30)/t23?,24-,25-/m0/s1
InChIKeyMWVHSEOGEZPBFE-DJHGOXGWSA-N
MW498.65 g/mol
LogP2.95
Rot. Bonds10

About N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (PubChem CID 157391635) has the molecular formula C27H34N2O5S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
PubChem CID157391635
Molecular FormulaC27H34N2O5S
Molecular Weight498.65 g/mol
Exact Mass498.22
IUPAC NameN-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc([C@@H]2CC2CCCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H34N2O5S/c1-20-9-11-21(12-10-20)24-18-23(24)8-5-17-35(32,33)19-25(27(31)29-13-15-34-16-14-29)28-26(30)22-6-3-2-4-7-22/h2-4,6-7,9-12,23-25H,5,8,13-19H2,1H3,(H,28,30)/t23?,24-,25-/m0/s1
InChIKeyMWVHSEOGEZPBFE-DJHGOXGWSA-N
XLogP2.95
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2S)-7-[(2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxoheptan-2-yl]benzamide
CID 159046194
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512103
N-[(2S)-7-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]-4-(trifluoromethyl)benzamide
CID 158533222
N-[(2S)-5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-phenylbenzamide
CID 162155190
2-[(2S)-2-[(4-fluorobenzoyl)amino]-3-morpholin-4-yl-3-oxopropoxy]ethyl methanesulfonate;4-fluoro-N-[(2S)-3-[3-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]propoxy]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide;trans-(1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine
CID 157231813
3,4-dichloro-N-[(2S)-7-[(1R,2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxoheptan-2-yl]benzamide
CID 159527879
N-[(2S)-5-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopentan-2-yl]-4-phenylbenzamide
CID 147743921
N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 140734604
N-[(2R)-1-(4-ethylpiperazin-1-yl)-3-[3-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]propylsulfonyl]-1-oxopropan-2-yl]-4-phenylbenzamide
CID 159839257
N-[(2S)-5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(4-methoxyphenyl)benzamide
CID 161167727
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (CID 157391635) is N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is Cc1ccc([C@@H]2CC2CCCS(=O)(=O)C[C@H](NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is MWVHSEOGEZPBFE-DJHGOXGWSA-N. The full InChI is InChI=1S/C27H34N2O5S/c1-20-9-11-21(12-10-20)24-18-23(24)8-5-17-35(32,33)19-25(27(31)29-13-15-34-16-14-29)28-26(30)22-6-3-2-4-7-22/h2-4,6-7,9-12,23-25H,5,8,13-19H2,1H3,(H,28,30)/t23?,24-,25-/m0/s1.
What are the key properties of N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 498.65 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 157391635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).