4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide

C23H25N3O2S2 — CID 24668708

IUPAC4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c2cccs2)cc1
InChIInChI=1S/C23H25N3O2S2/c1-13-7-9-17(10-8-13)21(18-6-5-11-29-18)26-19(27)12-30-23-20(22(24)28)15(3)14(2)16(4)25-23/h5-11,21H,12H2,1-4H3,(H2,24,28)(H,26,27)
InChIKeyKNQGQSCKVLQAPJ-UHFFFAOYSA-N
MW439.61 g/mol
LogP4.47
Rot. Bonds7

About 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide

4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 24668708) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID24668708
Molecular FormulaC23H25N3O2S2
Molecular Weight439.61 g/mol
Exact Mass439.14
IUPAC Name4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c2cccs2)cc1
InChIInChI=1S/C23H25N3O2S2/c1-13-7-9-17(10-8-13)21(18-6-5-11-29-18)26-19(27)12-30-23-20(22(24)28)15(3)14(2)16(4)25-23/h5-11,21H,12H2,1-4H3,(H2,24,28)(H,26,27)
InChIKeyKNQGQSCKVLQAPJ-UHFFFAOYSA-N
XLogP4.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46640187
2-[[5-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 46825279
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18291690
2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24519371
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18141073
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40986235
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46626848
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46825247
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24665793
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24607940
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8569723

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 24668708) is 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide is Cc1ccc(C(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c2cccs2)cc1.
What is the InChIKey of 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is KNQGQSCKVLQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c1-13-7-9-17(10-8-13)21(18-6-5-11-29-18)26-19(27)12-30-23-20(22(24)28)15(3)14(2)16(4)25-23/h5-11,21H,12H2,1-4H3,(H2,24,28)(H,26,27).
What are the key properties of 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide?
4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 439.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24668708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).