N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide

C19H24N4O3S — CID 113015969

IUPACN-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15(24)21-16-6-9-18(10-7-16)27(25,26)22-17-8-11-19(20-14-17)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3,(H,21,24)
InChIKeyCDECHYKWROJNCU-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.22
Rot. Bonds5

About N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide

N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide (PubChem CID 113015969) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
PubChem CID113015969
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15(24)21-16-6-9-18(10-7-16)27(25,26)22-17-8-11-19(20-14-17)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3,(H,21,24)
InChIKeyCDECHYKWROJNCU-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
N-[6-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 69144677
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide (CID 113015969) is N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)nc2)cc1.
What is the InChIKey of N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The InChIKey is CDECHYKWROJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15(24)21-16-6-9-18(10-7-16)27(25,26)22-17-8-11-19(20-14-17)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3,(H,21,24).
What are the key properties of N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113015969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).