2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide

C23H29N3O3S2 — CID 166394653

IUPAC2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1NC(=O)CN(C)C
InChIInChI=1S/C23H29N3O3S2/c1-16-5-8-18(13-20(16)25-21(27)14-26(2)3)24-22(28)15-29-19-9-6-17(7-10-19)23-30-11-4-12-31-23/h5-10,13,23H,4,11-12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGNMOJBQNAHWADY-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.38
Rot. Bonds8

About 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide

2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide (PubChem CID 166394653) has the molecular formula C23H29N3O3S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide
PubChem CID166394653
Molecular FormulaC23H29N3O3S2
Molecular Weight459.64 g/mol
Exact Mass459.17
IUPAC Name2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1NC(=O)CN(C)C
InChIInChI=1S/C23H29N3O3S2/c1-16-5-8-18(13-20(16)25-21(27)14-26(2)3)24-22(28)15-29-19-9-6-17(7-10-19)23-30-11-4-12-31-23/h5-10,13,23H,4,11-12,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyGNMOJBQNAHWADY-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide with MolForge

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Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-4-methylbenzoate
CID 26285619
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
[2-(4-methylanilino)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate
CID 55385627
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
N-[4-(difluoromethoxy)phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7603238
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 71938593
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 9428504
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
CID 34752593
N-(4-bromophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744117

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide (CID 166394653) is 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide is Cc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1NC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide?
The InChIKey is GNMOJBQNAHWADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S2/c1-16-5-8-18(13-20(16)25-21(27)14-26(2)3)24-22(28)15-29-19-9-6-17(7-10-19)23-30-11-4-12-31-23/h5-10,13,23H,4,11-12,14-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide?
2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide has a molecular weight of 459.64 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 166394653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).