N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide

C17H16N4O3S2 — CID 118293587

IUPACN-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccsc3)c2)ccn1
InChIInChI=1S/C17H16N4O3S2/c1-11-16(21-26(23,24)15-4-6-25-10-15)7-14(9-19-11)13-3-5-18-17(8-13)20-12(2)22/h3-10,21H,1-2H3,(H,18,20,22)
InChIKeyUCNKMRRCKBBJCH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293587) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293587
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccsc3)c2)ccn1
InChIInChI=1S/C17H16N4O3S2/c1-11-16(21-26(23,24)15-4-6-25-10-15)7-14(9-19-11)13-3-5-18-17(8-13)20-12(2)22/h3-10,21H,1-2H3,(H,18,20,22)
InChIKeyUCNKMRRCKBBJCH-UHFFFAOYSA-N
XLogP3.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 134145841
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 134156936
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 151422375
3-[(4-Methylphenyl)sulfonyl]-N~1~-[4-(2-pyridyl)-1,3-thiazol-2-YL]propanamide
CID 22581360
N-[3-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethylsulfonyl]phenyl]-5-thiophen-3-ylpyridin-2-amine
CID 44527170
3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 47038330
2-[3-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192851
2-amino-N-[5-[5-(benzenesulfonamido)-6-methyl-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145951830
(2R)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145955070
(2S)-2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 145959429
2-amino-N-[5-[5-(benzenesulfonamido)-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145972017

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293587) is N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccsc3)c2)ccn1.
What is the InChIKey of N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is UCNKMRRCKBBJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-16(21-26(23,24)15-4-6-25-10-15)7-14(9-19-11)13-3-5-18-17(8-13)20-12(2)22/h3-10,21H,1-2H3,(H,18,20,22).
What are the key properties of N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-5-(thiophen-3-ylsulfonylamino)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).