(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide

C25H30N4O4S — CID 146069657

IUPAC(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)NC(C)C)C[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H30N4O4S/c1-16(2)26-24(30)20-13-21(25-27-23(28-33-25)19-7-5-4-6-8-19)22(14-20)29-34(31,32)15-18-11-9-17(3)10-12-18/h4-12,16,20-22,29H,13-15H2,1-3H3,(H,26,30)/t20-,21-,22+/m1/s1
InChIKeyXELVGUCMFQLKNF-VSKRKVRLSA-N
MW482.61 g/mol
LogP3.55
Rot. Bonds8

About (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide

(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 146069657) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID146069657
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)NC(C)C)C[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C25H30N4O4S/c1-16(2)26-24(30)20-13-21(25-27-23(28-33-25)19-7-5-4-6-8-19)22(14-20)29-34(31,32)15-18-11-9-17(3)10-12-18/h4-12,16,20-22,29H,13-15H2,1-3H3,(H,26,30)/t20-,21-,22+/m1/s1
InChIKeyXELVGUCMFQLKNF-VSKRKVRLSA-N
XLogP3.55
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide
CID 146069700
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150304
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
6-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 146069732
N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
CID 146069668
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289
(1R,3S,4R)-3-[(2-cyclopentylacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578599
3-phenyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]propanamide
CID 146069709
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide (CID 146069657) is (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide is Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)NC(C)C)C[C@H]2c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is XELVGUCMFQLKNF-VSKRKVRLSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-16(2)26-24(30)20-13-21(25-27-23(28-33-25)19-7-5-4-6-8-19)22(14-20)29-34(31,32)15-18-11-9-17(3)10-12-18/h4-12,16,20-22,29H,13-15H2,1-3H3,(H,26,30)/t20-,21-,22+/m1/s1.
What are the key properties of (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide?
(1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-[(4-methylphenyl)methylsulfonylamino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 146069657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).