N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide

C17H22N2OS — CID 43692638

IUPACN-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)Cc2cccs2)c1
InChIInChI=1S/C17H22N2OS/c1-12(10-17-8-5-9-21-17)18-13(2)15-6-4-7-16(11-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)
InChIKeyHNRIUNXAUBQBPF-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.99
Rot. Bonds6

About N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide

N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide (PubChem CID 43692638) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
PubChem CID43692638
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)Cc2cccs2)c1
InChIInChI=1S/C17H22N2OS/c1-12(10-17-8-5-9-21-17)18-13(2)15-6-4-7-16(11-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)
InChIKeyHNRIUNXAUBQBPF-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
CID 77028724
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide (CID 43692638) is N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(C)Cc2cccs2)c1.
What is the InChIKey of N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide?
The InChIKey is HNRIUNXAUBQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(10-17-8-5-9-21-17)18-13(2)15-6-4-7-16(11-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide?
N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 43692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).