2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide

C25H32N4O7S — CID 69436747

IUPAC2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
SMILESCC[C@H](NC(=O)C(CC(=O)N1CCOCC1)C(C1CC1)S(C)(=O)=O)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H32N4O7S/c1-3-19(21(31)25-27-23(28-36-25)17-7-5-4-6-8-17)26-24(32)18(22(16-9-10-16)37(2,33)34)15-20(30)29-11-13-35-14-12-29/h4-8,16,18-19,22H,3,9-15H2,1-2H3,(H,26,32)/t18?,19-,22?/m0/s1
InChIKeyFOWQNSHURCGQPL-LVIWNVNYSA-N
MW532.62 g/mol
LogP1.50
Rot. Bonds11

About 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide

2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide (PubChem CID 69436747) has the molecular formula C25H32N4O7S and a molecular weight of 532.62 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
PubChem CID69436747
Molecular FormulaC25H32N4O7S
Molecular Weight532.62 g/mol
Exact Mass532.20
IUPAC Name2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
SMILESCC[C@H](NC(=O)C(CC(=O)N1CCOCC1)C(C1CC1)S(C)(=O)=O)C(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C25H32N4O7S/c1-3-19(21(31)25-27-23(28-36-25)17-7-5-4-6-8-17)26-24(32)18(22(16-9-10-16)37(2,33)34)15-20(30)29-11-13-35-14-12-29/h4-8,16,18-19,22H,3,9-15H2,1-2H3,(H,26,32)/t18?,19-,22?/m0/s1
InChIKeyFOWQNSHURCGQPL-LVIWNVNYSA-N
XLogP1.50
TPSA148.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide with MolForge

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Related Compounds

(2S)-2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2R)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
CID 91592615
(2R)-2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
CID 58628213
N-[(2R)-3-benzylsulfonyl-1-oxo-1-[[(2R)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide
CID 10239892
N-[(3S)-1-(benzylamino)-1,2-dioxopentan-3-yl]-2-[methylsulfonyl(phenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 69474662
2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]butanamide
CID 22053931
2-[1-(methanesulfonamido)ethylideneamino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]acetamide
CID 70333691
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
2-[[2-(difluoromethoxy)phenyl]methylsulfonylmethyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]butanamide
CID 58649512
2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
CID 22179885
2-amino-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 22053938
N-(2-hydroxy-1-oxo-1-phenylheptan-3-yl)-2-[methylsulfonyl(phenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 69437653
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide (CID 69436747) is 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide is CC[C@H](NC(=O)C(CC(=O)N1CCOCC1)C(C1CC1)S(C)(=O)=O)C(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?
The InChIKey is FOWQNSHURCGQPL-LVIWNVNYSA-N. The full InChI is InChI=1S/C25H32N4O7S/c1-3-19(21(31)25-27-23(28-36-25)17-7-5-4-6-8-17)26-24(32)18(22(16-9-10-16)37(2,33)34)15-20(30)29-11-13-35-14-12-29/h4-8,16,18-19,22H,3,9-15H2,1-2H3,(H,26,32)/t18?,19-,22?/m0/s1.
What are the key properties of 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?
2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide has a molecular weight of 532.62 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)methyl]-4-morpholin-4-yl-4-oxo-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide is sourced from PubChem (CID 69436747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).