2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide

C15H27N3OS — CID 115286974

IUPAC2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)C(CNC(=O)C(N)c1cccs1)N(C)C
InChIInChI=1S/C15H27N3OS/c1-5-11(6-2)12(18(3)4)10-17-15(19)14(16)13-8-7-9-20-13/h7-9,11-12,14H,5-6,10,16H2,1-4H3,(H,17,19)
InChIKeyUCXJBTRCMGZSPU-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.23
Rot. Bonds8

About 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide

2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide (PubChem CID 115286974) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide
PubChem CID115286974
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)C(CNC(=O)C(N)c1cccs1)N(C)C
InChIInChI=1S/C15H27N3OS/c1-5-11(6-2)12(18(3)4)10-17-15(19)14(16)13-8-7-9-20-13/h7-9,11-12,14H,5-6,10,16H2,1-4H3,(H,17,19)
InChIKeyUCXJBTRCMGZSPU-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
CID 79013169
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
CID 113279191
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide (CID 115286974) is 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide is CCC(CC)C(CNC(=O)C(N)c1cccs1)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide?
The InChIKey is UCXJBTRCMGZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-11(6-2)12(18(3)4)10-17-15(19)14(16)13-8-7-9-20-13/h7-9,11-12,14H,5-6,10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide?
2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide has a molecular weight of 297.47 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).