N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H24N2O4S — CID 9244621

IUPACN-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H24N2O4S/c1-16(24)18-5-4-6-19(15-18)22-21(25)12-9-17-7-10-20(11-8-17)28(26,27)23-13-2-3-14-23/h4-8,10-11,15H,2-3,9,12-14H2,1H3,(H,22,25)
InChIKeyDNOZALXLRLVQLK-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.24
Rot. Bonds7

About N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 9244621) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID9244621
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H24N2O4S/c1-16(24)18-5-4-6-19(15-18)22-21(25)12-9-17-7-10-20(11-8-17)28(26,27)23-13-2-3-14-23/h4-8,10-11,15H,2-3,9,12-14H2,1H3,(H,22,25)
InChIKeyDNOZALXLRLVQLK-UHFFFAOYSA-N
XLogP3.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100526473
1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 171536164
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 9244621) is N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DNOZALXLRLVQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-16(24)18-5-4-6-19(15-18)22-21(25)12-9-17-7-10-20(11-8-17)28(26,27)23-13-2-3-14-23/h4-8,10-11,15H,2-3,9,12-14H2,1H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 400.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 9244621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).