N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide

C19H25N3O2S — CID 52512096

IUPACN-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)N(C)[C@H](C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-4-22(14-16-9-6-5-7-10-16)18(23)13-20-19(24)21(3)15(2)17-11-8-12-25-17/h5-12,15H,4,13-14H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyVGJKJXLZNGLJMZ-OAHLLOKOSA-N
MW359.50 g/mol
LogP3.50
Rot. Bonds7

About N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide

N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide (PubChem CID 52512096) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide
PubChem CID52512096
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)N(C)[C@H](C)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-4-22(14-16-9-6-5-7-10-16)18(23)13-20-19(24)21(3)15(2)17-11-8-12-25-17/h5-12,15H,4,13-14H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyVGJKJXLZNGLJMZ-OAHLLOKOSA-N
XLogP3.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
N-benzyl-N-ethyl-2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]acetamide
CID 111257767
N-benzyl-N-ethyl-2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]acetamide
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4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
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N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47126244
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
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N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
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CID 119750868
N-benzyl-N-ethyl-2-[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]acetamide
CID 111581592
N-benzyl-2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-ethylacetamide
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1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide (CID 52512096) is N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide is CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)[C@H](C)c1cccs1.
What is the InChIKey of N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide?
The InChIKey is VGJKJXLZNGLJMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-4-22(14-16-9-6-5-7-10-16)18(23)13-20-19(24)21(3)15(2)17-11-8-12-25-17/h5-12,15H,4,13-14H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide?
N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[[methyl-[(1R)-1-thiophen-2-ylethyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 52512096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).