2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C13H20N2O2S — CID 18127101

IUPAC2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16)
InChIKeyFQULJUHDCWCPCH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.87
Rot. Bonds5

About 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 18127101) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID18127101
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1cccs1)C(C)C
InChIInChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16)
InChIKeyFQULJUHDCWCPCH-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tenilsetam
CID 65649
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-[(thiophen-2-yl)methyl]acetamide
CID 30617
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
N-[(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 2453059
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 18127101) is 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(=O)NC(C(=O)N(C)Cc1cccs1)C(C)C.
What is the InChIKey of 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is FQULJUHDCWCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)12(14-10(3)16)13(17)15(4)8-11-6-5-7-18-11/h5-7,9,12H,8H2,1-4H3,(H,14,16).
What are the key properties of 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 268.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 18127101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).