N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C29H30N6O6S2 — CID 135795837

IUPACN-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(Cc2ccc(NC(=O)CSc3nc(C)cc(=O)[nH]3)c(OC)c2)ccc1NC(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C29H30N6O6S2/c1-16-9-24(36)34-28(30-16)42-14-26(38)32-20-7-5-18(12-22(20)40-3)11-19-6-8-21(23(13-19)41-4)33-27(39)15-43-29-31-17(2)10-25(37)35-29/h5-10,12-13H,11,14-15H2,1-4H3,(H,32,38)(H,33,39)(H,30,34,36)(H,31,35,37)
InChIKeyPEGPXGLWEUXBIM-UHFFFAOYSA-N
MW622.73 g/mol
LogP3.54
Rot. Bonds12

About N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135795837) has the molecular formula C29H30N6O6S2 and a molecular weight of 622.73 g/mol. Its IUPAC name is N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135795837
Molecular FormulaC29H30N6O6S2
Molecular Weight622.73 g/mol
Exact Mass622.17
IUPAC NameN-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1cc(Cc2ccc(NC(=O)CSc3nc(C)cc(=O)[nH]3)c(OC)c2)ccc1NC(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C29H30N6O6S2/c1-16-9-24(36)34-28(30-16)42-14-26(38)32-20-7-5-18(12-22(20)40-3)11-19-6-8-21(23(13-19)41-4)33-27(39)15-43-29-31-17(2)10-25(37)35-29/h5-10,12-13H,11,14-15H2,1-4H3,(H,32,38)(H,33,39)(H,30,34,36)(H,31,35,37)
InChIKeyPEGPXGLWEUXBIM-UHFFFAOYSA-N
XLogP3.54
TPSA168.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.73
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[2-methyl-4-[[3-methyl-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135795841
5-[[3-carboxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]-2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 135795845
N-(4-methoxy-2,5-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135402516
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
N-(3-bromo-4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135455797
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372
N-[2-methoxy-4-[[3-methoxy-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4673802
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(2-methylpropyl)phenyl]acetamide
CID 135461502
ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135552142

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135795837) is N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is COc1cc(Cc2ccc(NC(=O)CSc3nc(C)cc(=O)[nH]3)c(OC)c2)ccc1NC(=O)CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PEGPXGLWEUXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O6S2/c1-16-9-24(36)34-28(30-16)42-14-26(38)32-20-7-5-18(12-22(20)40-3)11-19-6-8-21(23(13-19)41-4)33-27(39)15-43-29-31-17(2)10-25(37)35-29/h5-10,12-13H,11,14-15H2,1-4H3,(H,32,38)(H,33,39)(H,30,34,36)(H,31,35,37).
What are the key properties of N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 622.73 g/mol, XLogP of 3.54, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[3-methoxy-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135795837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).