N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C21H29N3O4S — CID 7768257

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1
InChIInChI=1S/C21H29N3O4S/c1-5-16(4)17-8-10-18(11-9-17)22-20(25)15-23-14-19(12-13-21(23)26)29(27,28)24(6-2)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyZYGVFUHTDMABAS-INIZCTEOSA-N
MW419.55 g/mol
LogP3.03
Rot. Bonds9

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 7768257) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID7768257
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1
InChIInChI=1S/C21H29N3O4S/c1-5-16(4)17-8-10-18(11-9-17)22-20(25)15-23-14-19(12-13-21(23)26)29(27,28)24(6-2)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyZYGVFUHTDMABAS-INIZCTEOSA-N
XLogP3.03
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55484749
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42490480
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 30873268
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 26809065
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-ethyl-3-nitrophenyl)acetamide
CID 30839874
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 26719575
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-prop-2-enylacetamide
CID 9399528
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 41114327

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 7768257) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CC[C@H](C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is ZYGVFUHTDMABAS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-5-16(4)17-8-10-18(11-9-17)22-20(25)15-23-14-19(12-13-21(23)26)29(27,28)24(6-2)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 7768257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).