2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide

C15H25BrN4OS — CID 111384311

IUPAC2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(Br)s1
InChIInChI=1S/C15H25BrN4OS/c1-5-17-14(19-10-13(21)20-15(2,3)4)18-9-8-11-6-7-12(16)22-11/h6-7H,5,8-10H2,1-4H3,(H,20,21)(H2,17,18,19)
InChIKeyMXRSRKZKSSVPMJ-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.52
Rot. Bonds6

About 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide

2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide (PubChem CID 111384311) has the molecular formula C15H25BrN4OS and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
PubChem CID111384311
Molecular FormulaC15H25BrN4OS
Molecular Weight389.36 g/mol
Exact Mass388.09
IUPAC Name2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(Br)s1
InChIInChI=1S/C15H25BrN4OS/c1-5-17-14(19-10-13(21)20-15(2,3)4)18-9-8-11-6-7-12(16)22-11/h6-7H,5,8-10H2,1-4H3,(H,20,21)(H2,17,18,19)
InChIKeyMXRSRKZKSSVPMJ-UHFFFAOYSA-N
XLogP2.52
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.52
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

N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384419
1-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607156
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111797374
2-[[[2-(4-acetamidophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111384299
1-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110973863
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382924
N-tert-butyl-2-[[ethylamino-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383925
N-[2-[[N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111863265
N-tert-butyl-2-[[[2-(2,3-difluorophenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111566646
2-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111383862
N-tert-butyl-2-[[ethylamino-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methylidene]amino]acetamide
CID 111384789

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide (CID 111384311) is 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCc1ccc(Br)s1.
What is the InChIKey of 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is MXRSRKZKSSVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4OS/c1-5-17-14(19-10-13(21)20-15(2,3)4)18-9-8-11-6-7-12(16)22-11/h6-7H,5,8-10H2,1-4H3,(H,20,21)(H2,17,18,19).
What are the key properties of 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide?
2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 389.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 111384311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).