N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide

C15H26N2OS — CID 78791751

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)N(CCNC(=O)CCc1cccs1)C(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(13(3)4)10-9-16-15(18)8-7-14-6-5-11-19-14/h5-6,11-13H,7-10H2,1-4H3,(H,16,18)
InChIKeyBAFOMGAWXHBKNF-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.92
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 78791751) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
PubChem CID78791751
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)N(CCNC(=O)CCc1cccs1)C(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(13(3)4)10-9-16-15(18)8-7-14-6-5-11-19-14/h5-6,11-13H,7-10H2,1-4H3,(H,16,18)
InChIKeyBAFOMGAWXHBKNF-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
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N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 166370496
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CID 51362734
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
CID 78798639

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide (CID 78791751) is N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide is CC(C)N(CCNC(=O)CCc1cccs1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is BAFOMGAWXHBKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)17(13(3)4)10-9-16-15(18)8-7-14-6-5-11-19-14/h5-6,11-13H,7-10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 282.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 78791751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).