N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H21N3O3S — CID 51195731

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(C)C(CNC(=O)CCn1c(=O)oc2ccccc21)c1cccs1
InChIInChI=1S/C18H21N3O3S/c1-20(2)14(16-8-5-11-25-16)12-19-17(22)9-10-21-13-6-3-4-7-15(13)24-18(21)23/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyDGNBEYGKBQNXMM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 51195731) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID51195731
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(C)C(CNC(=O)CCn1c(=O)oc2ccccc21)c1cccs1
InChIInChI=1S/C18H21N3O3S/c1-20(2)14(16-8-5-11-25-16)12-19-17(22)9-10-21-13-6-3-4-7-15(13)24-18(21)23/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyDGNBEYGKBQNXMM-UHFFFAOYSA-N
XLogP2.47
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
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3-(2-oxo-1,3-benzoxazol-3-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
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N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
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N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 51195731) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(C)C(CNC(=O)CCn1c(=O)oc2ccccc21)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is DGNBEYGKBQNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-20(2)14(16-8-5-11-25-16)12-19-17(22)9-10-21-13-6-3-4-7-15(13)24-18(21)23/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 359.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 51195731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).