N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide

C15H20N2OS2 — CID 115356281

IUPACN-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C15H20N2OS2/c1-15(2,3)17-13(18)10-16-14(11-6-4-8-19-11)12-7-5-9-20-12/h4-9,14,16H,10H2,1-3H3,(H,17,18)
InChIKeyOCAXMIKCNBOJSS-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.40
Rot. Bonds5

About N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide

N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide (PubChem CID 115356281) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
PubChem CID115356281
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC NameN-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C15H20N2OS2/c1-15(2,3)17-13(18)10-16-14(11-6-4-8-19-11)12-7-5-9-20-12/h4-9,14,16H,10H2,1-3H3,(H,17,18)
InChIKeyOCAXMIKCNBOJSS-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8794366
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide (CID 115356281) is N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide is CC(C)(C)NC(=O)CNC(c1cccs1)c1cccs1.
What is the InChIKey of N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide?
The InChIKey is OCAXMIKCNBOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-15(2,3)17-13(18)10-16-14(11-6-4-8-19-11)12-7-5-9-20-12/h4-9,14,16H,10H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide?
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide has a molecular weight of 308.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 115356281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).