3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

C23H27N3O5S — CID 46467072

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H27N3O5S/c1-17(27)19-7-5-9-21(15-19)32(30,31)25-11-10-22(28)24-16-18-6-4-8-20(14-18)23(29)26-12-2-3-13-26/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,28)
InChIKeyNYPQMJAIUZGKHG-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.11
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 46467072) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID46467072
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H27N3O5S/c1-17(27)19-7-5-9-21(15-19)32(30,31)25-11-10-22(28)24-16-18-6-4-8-20(14-18)23(29)26-12-2-3-13-26/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,28)
InChIKeyNYPQMJAIUZGKHG-UHFFFAOYSA-N
XLogP2.11
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55722130
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55840624
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (CID 46467072) is 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is NYPQMJAIUZGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-17(27)19-7-5-9-21(15-19)32(30,31)25-11-10-22(28)24-16-18-6-4-8-20(14-18)23(29)26-12-2-3-13-26/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,28).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 457.55 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46467072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).