N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C22H26N2O5S — CID 100526473

IUPACN-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C22H26N2O5S/c1-16(25)17-6-5-7-19(14-17)23-22(26)11-8-18-15-20(9-10-21(18)29-2)30(27,28)24-12-3-4-13-24/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,23,26)
InChIKeyYBIUSVKJVJSEKM-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.25
Rot. Bonds8

About N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100526473) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID100526473
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C22H26N2O5S/c1-16(25)17-6-5-7-19(14-17)23-22(26)11-8-18-15-20(9-10-21(18)29-2)30(27,28)24-12-3-4-13-24/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,23,26)
InChIKeyYBIUSVKJVJSEKM-UHFFFAOYSA-N
XLogP3.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 100575909
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-(2-phenylsulfanylphenyl)propanamide
CID 100617845

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 100526473) is N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YBIUSVKJVJSEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-16(25)17-6-5-7-19(14-17)23-22(26)11-8-18-15-20(9-10-21(18)29-2)30(27,28)24-12-3-4-13-24/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 430.53 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100526473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).