2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C21H26N2O5S2 — CID 38953804

IUPAC2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O5S2/c24-21(17-29(25,26)16-6-9-18-7-2-1-3-8-18)22-19-10-12-20(13-11-19)30(27,28)23-14-4-5-15-23/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,22,24)
InChIKeyHSYKUIQMOGIGNI-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.46
Rot. Bonds9

About 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 38953804) has the molecular formula C21H26N2O5S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID38953804
Molecular FormulaC21H26N2O5S2
Molecular Weight450.58 g/mol
Exact Mass450.13
IUPAC Name2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O5S2/c24-21(17-29(25,26)16-6-9-18-7-2-1-3-8-18)22-19-10-12-20(13-11-19)30(27,28)23-14-4-5-15-23/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,22,24)
InChIKeyHSYKUIQMOGIGNI-UHFFFAOYSA-N
XLogP2.46
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
CID 55687459
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 38953804) is 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HSYKUIQMOGIGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S2/c24-21(17-29(25,26)16-6-9-18-7-2-1-3-8-18)22-19-10-12-20(13-11-19)30(27,28)23-14-4-5-15-23/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,22,24).
What are the key properties of 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 450.58 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 38953804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).