N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C18H21N3O3S — CID 27700420

IUPACN-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccncc1
InChIInChI=1S/C18H21N3O3S/c22-18(20-16-9-11-19-12-10-16)8-5-15-3-6-17(7-4-15)25(23,24)21-13-1-2-14-21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,19,20,22)
InChIKeyZQBXTNHWVPXSED-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.44
Rot. Bonds6

About N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 27700420) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID27700420
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccncc1
InChIInChI=1S/C18H21N3O3S/c22-18(20-16-9-11-19-12-10-16)8-5-15-3-6-17(7-4-15)25(23,24)21-13-1-2-14-21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,19,20,22)
InChIKeyZQBXTNHWVPXSED-UHFFFAOYSA-N
XLogP2.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 8762980
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butylbenzamide
CID 38255263
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55819755
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554821
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 27700420) is N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccncc1.
What is the InChIKey of N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ZQBXTNHWVPXSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(20-16-9-11-19-12-10-16)8-5-15-3-6-17(7-4-15)25(23,24)21-13-1-2-14-21/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,19,20,22).
What are the key properties of N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 359.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 27700420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).