N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide

C16H20N2OS — CID 66386116

IUPACN-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-11(2)13-5-4-6-14(9-13)17-10-16-15(7-8-20-16)18-12(3)19/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyVPZXCJFNNOMQIJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.44
Rot. Bonds5

About N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66386116) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66386116
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-11(2)13-5-4-6-14(9-13)17-10-16-15(7-8-20-16)18-12(3)19/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyVPZXCJFNNOMQIJ-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
CID 66385911
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387299
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide (CID 66386116) is N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1cccc(C(C)C)c1.
What is the InChIKey of N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is VPZXCJFNNOMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)13-5-4-6-14(9-13)17-10-16-15(7-8-20-16)18-12(3)19/h4-9,11,17H,10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).