(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide

C18H24N4O4S — CID 92895603

IUPAC(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C18H24N4O4S/c1-10(2)19-17(23)12(4)22-27(24,25)15-9-14(6-5-11(15)3)16-20-18(26-21-16)13-7-8-13/h5-6,9-10,12-13,22H,7-8H2,1-4H3,(H,19,23)/t12-/m0/s1
InChIKeyCMQPYWSLXFTJLT-LBPRGKRZSA-N
MW392.48 g/mol
LogP2.11
Rot. Bonds7

About (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide

(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 92895603) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID92895603
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C18H24N4O4S/c1-10(2)19-17(23)12(4)22-27(24,25)15-9-14(6-5-11(15)3)16-20-18(26-21-16)13-7-8-13/h5-6,9-10,12-13,22H,7-8H2,1-4H3,(H,19,23)/t12-/m0/s1
InChIKeyCMQPYWSLXFTJLT-LBPRGKRZSA-N
XLogP2.11
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823627
N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50823581
N-(2-chloro-4-fluorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823628
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 50823584
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methylbenzenesulfonamide
CID 50823583
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 92895596
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzenesulfonamide
CID 50823515
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46365811
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide (CID 92895603) is (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is CMQPYWSLXFTJLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-10(2)19-17(23)12(4)22-27(24,25)15-9-14(6-5-11(15)3)16-20-18(26-21-16)13-7-8-13/h5-6,9-10,12-13,22H,7-8H2,1-4H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide?
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 392.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 92895603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).