N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H14N2O2S — CID 112605028

IUPACN-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H14N2O2S/c1-11(2,3)15-7-9(14)13-10-8(6-12)4-5-16-10/h4-5H,7H2,1-3H3,(H,13,14)
InChIKeyBQRWKPMNYBLRPY-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.37
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605028) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605028
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H14N2O2S/c1-11(2,3)15-7-9(14)13-10-8(6-12)4-5-16-10/h4-5H,7H2,1-3H3,(H,13,14)
InChIKeyBQRWKPMNYBLRPY-UHFFFAOYSA-N
XLogP2.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 3912539
N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
CID 9415681
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788004
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 3968436
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552471

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605028) is N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is BQRWKPMNYBLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2,3)15-7-9(14)13-10-8(6-12)4-5-16-10/h4-5H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).