N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

C18H22N2O3S — CID 46992278

IUPACN-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-15(13-21)20(12-16-9-6-10-24-16)17(22)11-19-18(23)14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,19,23)
InChIKeyLOZCCAPJRHNGKQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 46992278) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID46992278
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-2-15(13-21)20(12-16-9-6-10-24-16)17(22)11-19-18(23)14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,19,23)
InChIKeyLOZCCAPJRHNGKQ-UHFFFAOYSA-N
XLogP2.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 95046623
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CID 38562903
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
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N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
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2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
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CID 3206824

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 46992278) is N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is CCC(CO)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is LOZCCAPJRHNGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-15(13-21)20(12-16-9-6-10-24-16)17(22)11-19-18(23)14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,19,23).
What are the key properties of N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46992278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).