N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide

C13H22N2OS — CID 80712468

IUPACN-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
SMILESCc1cc(CNCC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-9-6-11(10(2)17-9)7-14-8-12(16)15-13(3,4)5/h6,14H,7-8H2,1-5H3,(H,15,16)
InChIKeySUXFGLSCJZRSRV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.37
Rot. Bonds4

About N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide

N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide (PubChem CID 80712468) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
PubChem CID80712468
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
SMILESCc1cc(CNCC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C13H22N2OS/c1-9-6-11(10(2)17-9)7-14-8-12(16)15-13(3,4)5/h6,14H,7-8H2,1-5H3,(H,15,16)
InChIKeySUXFGLSCJZRSRV-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 115356298
N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
CID 47177896
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
tert-butyl 3-[[(2,5-dimethylthiophen-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103700048
5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]thiophene-3-carboxylic acid
CID 115356130
N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
3-[(2,5-dimethylthiophen-3-yl)methylamino]propane-1,2-diol
CID 66177586
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[(2,5-dimethylthiophen-3-yl)methyl]urea
CID 75427114
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)acetamide
CID 166220441
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide (CID 80712468) is N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide is Cc1cc(CNCC(=O)NC(C)(C)C)c(C)s1.
What is the InChIKey of N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide?
The InChIKey is SUXFGLSCJZRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-6-11(10(2)17-9)7-14-8-12(16)15-13(3,4)5/h6,14H,7-8H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide?
N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide has a molecular weight of 254.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide is sourced from PubChem (CID 80712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).