N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide

C21H21ClN4O4S — CID 50823627

IUPACN-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-12-3-4-15(19-24-21(30-25-19)14-5-6-14)11-18(12)31(28,29)26-13(2)20(27)23-17-9-7-16(22)8-10-17/h3-4,7-11,13-14,26H,5-6H2,1-2H3,(H,23,27)
InChIKeyGQDPAGBRMWVQHO-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.88
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide

N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide (PubChem CID 50823627) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
PubChem CID50823627
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC NameN-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-12-3-4-15(19-24-21(30-25-19)14-5-6-14)11-18(12)31(28,29)26-13(2)20(27)23-17-9-7-16(22)8-10-17/h3-4,7-11,13-14,26H,5-6H2,1-2H3,(H,23,27)
InChIKeyGQDPAGBRMWVQHO-UHFFFAOYSA-N
XLogP3.88
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
CID 92895603
N-(2-chloro-4-fluorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823628
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50823581
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
N-[(2R)-1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 95063527
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46365811

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide (CID 50823627) is N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide?
The InChIKey is GQDPAGBRMWVQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-12-3-4-15(19-24-21(30-25-19)14-5-6-14)11-18(12)31(28,29)26-13(2)20(27)23-17-9-7-16(22)8-10-17/h3-4,7-11,13-14,26H,5-6H2,1-2H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide?
N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide has a molecular weight of 460.94 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide is sourced from PubChem (CID 50823627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).