N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide

C12H20N2O2S — CID 114188533

IUPACN-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
SMILESCCC(C)NC(=O)CNCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-3-9(2)14-12(16)7-13-6-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyPEXMLVZUENYPOR-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.29
Rot. Bonds7

About N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide

N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide (PubChem CID 114188533) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
PubChem CID114188533
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
SMILESCCC(C)NC(=O)CNCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-3-9(2)14-12(16)7-13-6-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyPEXMLVZUENYPOR-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]prop-2-enoic acid
CID 106435902
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
CID 106434975
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide (CID 114188533) is N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide is CCC(C)NC(=O)CNCC(O)c1ccsc1.
What is the InChIKey of N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The InChIKey is PEXMLVZUENYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-9(2)14-12(16)7-13-6-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide is sourced from PubChem (CID 114188533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).