N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide

C13H22N2OS — CID 62841877

IUPACN-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
SMILESCC(NC(C)c1ccsc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2OS/c1-9(11-6-7-17-8-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16)
InChIKeyQCNBQGVSDOHGDS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.70
Rot. Bonds4

About N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide

N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide (PubChem CID 62841877) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
PubChem CID62841877
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
SMILESCC(NC(C)c1ccsc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2OS/c1-9(11-6-7-17-8-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16)
InChIKeyQCNBQGVSDOHGDS-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62089126
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide (CID 62841877) is N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide is CC(NC(C)c1ccsc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide?
The InChIKey is QCNBQGVSDOHGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(11-6-7-17-8-11)14-10(2)12(16)15-13(3,4)5/h6-10,14H,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide?
N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.70, 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-thiophen-3-ylethylamino)propanamide is sourced from PubChem (CID 62841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).