N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide

C22H29N5OS — CID 111862975

IUPACN,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
SMILESCc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3cccs3)c12
InChIInChI=1S/C22H29N5OS/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyZUGTUTBRXTVXFI-UHFFFAOYSA-N
MW411.58 g/mol
LogP2.95
Rot. Bonds8

About N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide (PubChem CID 111862975) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
PubChem CID111862975
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC NameN,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
SMILESCc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3cccs3)c12
InChIInChI=1S/C22H29N5OS/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26)
InChIKeyZUGTUTBRXTVXFI-UHFFFAOYSA-N
XLogP2.95
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907587
2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
CID 111861665
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260288
2-[[(2-methoxyethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491566
2-[[butylamino-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111350043
2-[[[2-(2-methoxyphenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111861496
2-[[(2-methoxyethylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036181
2-[[(4-ethoxybutylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863155
2-[[[2-(furan-2-yl)ethylamino]-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050653
N,N-dimethyl-2-[[[2-(4-methylphenoxy)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111861381
2-[[(3-ethoxypropylamino)-[2-(4-methoxy-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034206

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide (CID 111862975) is N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide is Cc1cccc2[nH]cc(CCN/C(=N/CC(=O)N(C)C)NCCc3cccs3)c12.
What is the InChIKey of N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide?
The InChIKey is ZUGTUTBRXTVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-16-6-4-8-19-21(16)17(14-25-19)9-11-23-22(26-15-20(28)27(2)3)24-12-10-18-7-5-13-29-18/h4-8,13-14,25H,9-12,15H2,1-3H3,(H2,23,24,26).
What are the key properties of N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide has a molecular weight of 411.58 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(4-methyl-1H-indol-3-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111862975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).