N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide

C16H19N3O3S — CID 47007924

IUPACN-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C16H19N3O3S/c1-11-6-7-15(18-13(3)20)9-16(11)23(21,22)19-12(2)14-5-4-8-17-10-14/h4-10,12,19H,1-3H3,(H,18,20)
InChIKeyCTOCHNPSHXNTSQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.39
Rot. Bonds5

About N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide

N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide (PubChem CID 47007924) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
PubChem CID47007924
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C16H19N3O3S/c1-11-6-7-15(18-13(3)20)9-16(11)23(21,22)19-12(2)14-5-4-8-17-10-14/h4-10,12,19H,1-3H3,(H,18,20)
InChIKeyCTOCHNPSHXNTSQ-UHFFFAOYSA-N
XLogP2.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
methyl 3-methyl-4-(1-pyridin-3-ylethylsulfamoyl)benzoate
CID 49454216
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
CID 55456688
5-bromo-4-[[(1R)-1-pyridin-3-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81391806
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide (CID 47007924) is N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2cccnc2)c1.
What is the InChIKey of N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide?
The InChIKey is CTOCHNPSHXNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-6-7-15(18-13(3)20)9-16(11)23(21,22)19-12(2)14-5-4-8-17-10-14/h4-10,12,19H,1-3H3,(H,18,20).
What are the key properties of N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide?
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 47007924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).