N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide

C12H19ClN2OS — CID 102976365

IUPACN-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1csc(Cl)c1
InChIInChI=1S/C12H19ClN2OS/c1-8(9-5-10(13)17-7-9)14-6-11(16)15-12(2,3)4/h5,7-8,14H,6H2,1-4H3,(H,15,16)
InChIKeyGHSDFJMSSTZVQK-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.97
Rot. Bonds4

About N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide

N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide (PubChem CID 102976365) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
PubChem CID102976365
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1csc(Cl)c1
InChIInChI=1S/C12H19ClN2OS/c1-8(9-5-10(13)17-7-9)14-6-11(16)15-12(2,3)4/h5,7-8,14H,6H2,1-4H3,(H,15,16)
InChIKeyGHSDFJMSSTZVQK-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
tert-butyl 4-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 102976986
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide (CID 102976365) is N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide is CC(NCC(=O)NC(C)(C)C)c1csc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide?
The InChIKey is GHSDFJMSSTZVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-8(9-5-10(13)17-7-9)14-6-11(16)15-12(2,3)4/h5,7-8,14H,6H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide?
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide has a molecular weight of 274.82 g/mol, XLogP of 2.97, 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-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide is sourced from PubChem (CID 102976365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).