N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

C13H19N3O2S — CID 111107846

IUPACN-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)Nc1sccc1C#N)C(C)C
InChIInChI=1S/C13H19N3O2S/c1-9(2)16(7-10(3)17)8-12(18)15-13-11(6-14)4-5-19-13/h4-5,9-10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyKZLSEXABVIKIKF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.65
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 111107846) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID111107846
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)Nc1sccc1C#N)C(C)C
InChIInChI=1S/C13H19N3O2S/c1-9(2)16(7-10(3)17)8-12(18)15-13-11(6-14)4-5-19-13/h4-5,9-10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyKZLSEXABVIKIKF-UHFFFAOYSA-N
XLogP1.65
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838489
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015152
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(3-cyanothiophen-2-yl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692603
2-[butan-2-yl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]acetic acid
CID 60834541
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
CID 14015035

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (CID 111107846) is N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide is CC(O)CN(CC(=O)Nc1sccc1C#N)C(C)C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is KZLSEXABVIKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)16(7-10(3)17)8-12(18)15-13-11(6-14)4-5-19-13/h4-5,9-10,17H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 111107846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).