N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide

C20H35N5O2S — CID 110033391

IUPACN,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C20H35N5O2S/c1-15(2)11-21-20(23-13-19(26)24(4)5)22-12-17(18-7-6-10-28-18)25-8-9-27-16(3)14-25/h6-7,10,15-17H,8-9,11-14H2,1-5H3,(H2,21,22,23)
InChIKeyYEJOOEYVIOBRGJ-UHFFFAOYSA-N
MW409.60 g/mol
LogP1.79
Rot. Bonds8

About N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 110033391) has the molecular formula C20H35N5O2S and a molecular weight of 409.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID110033391
Molecular FormulaC20H35N5O2S
Molecular Weight409.60 g/mol
Exact Mass409.25
IUPAC NameN,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C20H35N5O2S/c1-15(2)11-21-20(23-13-19(26)24(4)5)22-12-17(18-7-6-10-28-18)25-8-9-27-16(3)14-25/h6-7,10,15-17H,8-9,11-14H2,1-5H3,(H2,21,22,23)
InChIKeyYEJOOEYVIOBRGJ-UHFFFAOYSA-N
XLogP1.79
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036338
2-[[(2-bicyclo[2.2.1]heptanylamino)-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036806
2-[[(butan-2-ylamino)-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111545467
2-[[(cyclopentylamino)-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111841624
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
N,N-dimethyl-2-[[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111860202
N,N-dimethyl-2-[[[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 111323468
N,N-dimethyl-2-[[[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 111323467
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111997263
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 109419508
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide (CID 110033391) is N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CN/C(=N\CC(=O)N(C)C)NCC(c1cccs1)N1CCOC(C)C1.
What is the InChIKey of N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is YEJOOEYVIOBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2S/c1-15(2)11-21-20(23-13-19(26)24(4)5)22-12-17(18-7-6-10-28-18)25-8-9-27-16(3)14-25/h6-7,10,15-17H,8-9,11-14H2,1-5H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 409.60 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110033391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).