N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide

C18H23N3O3S2 — CID 92883059

IUPACN-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C18H23N3O3S2/c1-4-13(3)20-18(22)14-6-11-17(19-12-14)25-16-9-7-15(8-10-16)21-26(23,24)5-2/h6-13,21H,4-5H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyZVOIIVCJUVVFHO-CYBMUJFWSA-N
MW393.53 g/mol
LogP3.52
Rot. Bonds8

About N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide

N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide (PubChem CID 92883059) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
PubChem CID92883059
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C18H23N3O3S2/c1-4-13(3)20-18(22)14-6-11-17(19-12-14)25-16-9-7-15(8-10-16)21-26(23,24)5-2/h6-13,21H,4-5H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyZVOIIVCJUVVFHO-CYBMUJFWSA-N
XLogP3.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 46388143
N-butan-2-yl-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388104
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 135120365
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
4-(ethylsulfonylamino)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 125160684

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide (CID 92883059) is N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide is CC[C@@H](C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
The InChIKey is ZVOIIVCJUVVFHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-4-13(3)20-18(22)14-6-11-17(19-12-14)25-16-9-7-15(8-10-16)21-26(23,24)5-2/h6-13,21H,4-5H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide?
N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 92883059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).