N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide

C18H23N3O4S — CID 95089134

IUPACN-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C18H23N3O4S/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-/m0/s1
InChIKeyAMQLWQXMVMFFBW-ZDUSSCGKSA-N
MW377.47 g/mol
LogP3.16
Rot. Bonds8

About N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide

N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 95089134) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
PubChem CID95089134
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)nc1
InChIInChI=1S/C18H23N3O4S/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-/m0/s1
InChIKeyAMQLWQXMVMFFBW-ZDUSSCGKSA-N
XLogP3.16
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
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-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide (CID 95089134) is N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide is CC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)CC)cc2)nc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is AMQLWQXMVMFFBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O4S/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-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide?
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95089134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).