N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C24H27N3O5S — CID 16599722

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H27N3O5S/c1-2-31-20-11-10-19(16-22(20)33(29,30)27-14-6-7-15-27)26-23(28)12-13-24-25-17-21(32-24)18-8-4-3-5-9-18/h3-5,8-11,16-17H,2,6-7,12-15H2,1H3,(H,26,28)
InChIKeyDQBBPTNXXIPYGQ-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.10
Rot. Bonds9

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 16599722) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID16599722
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H27N3O5S/c1-2-31-20-11-10-19(16-22(20)33(29,30)27-14-6-7-15-27)26-23(28)12-13-24-25-17-21(32-24)18-8-4-3-5-9-18/h3-5,8-11,16-17H,2,6-7,12-15H2,1H3,(H,26,28)
InChIKeyDQBBPTNXXIPYGQ-UHFFFAOYSA-N
XLogP4.10
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31009975
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24592654
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
4-ethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidin-1-ylsulfonylaniline
CID 78793301
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 31009962
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 16599722) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is DQBBPTNXXIPYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-2-31-20-11-10-19(16-22(20)33(29,30)27-14-6-7-15-27)26-23(28)12-13-24-25-17-21(32-24)18-8-4-3-5-9-18/h3-5,8-11,16-17H,2,6-7,12-15H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 469.56 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 16599722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).