N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide

C18H24N4O3S — CID 113015172

IUPACN-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13(2)10-11-19-18-9-6-16(12-20-18)22-26(24,25)17-7-4-15(5-8-17)21-14(3)23/h4-9,12-13,22H,10-11H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyXTKQAFWUICAHIB-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.30
Rot. Bonds8

About N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide

N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide (PubChem CID 113015172) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
PubChem CID113015172
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13(2)10-11-19-18-9-6-16(12-20-18)22-26(24,25)17-7-4-15(5-8-17)21-14(3)23/h4-9,12-13,22H,10-11H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyXTKQAFWUICAHIB-UHFFFAOYSA-N
XLogP3.30
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[4-[(5-amino-2-pyridinyl)sulfamoyl]phenyl]acetamide
CID 43328729
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide (CID 113015172) is N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)nc2)cc1.
What is the InChIKey of N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
The InChIKey is XTKQAFWUICAHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13(2)10-11-19-18-9-6-16(12-20-18)22-26(24,25)17-7-4-15(5-8-17)21-14(3)23/h4-9,12-13,22H,10-11H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide?
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 113015172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).