N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide

C19H24N4O3S — CID 55598687

IUPACN-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H24N4O3S/c1-14-5-7-17(22-15(2)24)11-18(14)27(25,26)21-13-16-6-8-19(20-12-16)23-9-3-4-10-23/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3,(H,22,24)
InChIKeyGFXBRQWHBBJYCW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.43
Rot. Bonds6

About N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide

N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 55598687) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
PubChem CID55598687
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H24N4O3S/c1-14-5-7-17(22-15(2)24)11-18(14)27(25,26)21-13-16-6-8-19(20-12-16)23-9-3-4-10-23/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3,(H,22,24)
InChIKeyGFXBRQWHBBJYCW-UHFFFAOYSA-N
XLogP2.43
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
N-[3-methyl-4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]phenyl]acetamide
CID 122327735
5-chloro-1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 55870765
N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 31113542
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide (CID 55598687) is N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is GFXBRQWHBBJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-5-7-17(22-15(2)24)11-18(14)27(25,26)21-13-16-6-8-19(20-12-16)23-9-3-4-10-23/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide?
N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55598687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).