2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C15H23N3O2S — CID 134022655

IUPAC2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC(C1CC1)N(C)CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H23N3O2S/c1-11(12-5-6-12)18(2)10-14(19)17-15(20)16-8-7-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,16,17,19,20)
InChIKeyLDQIUPWCMHKFIX-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.85
Rot. Bonds7

About 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 134022655) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID134022655
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC(C1CC1)N(C)CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H23N3O2S/c1-11(12-5-6-12)18(2)10-14(19)17-15(20)16-8-7-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,16,17,19,20)
InChIKeyLDQIUPWCMHKFIX-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 42200923
3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
2-[ethyl(methyl)amino]-N-(2-thiophen-2-ylethyl)butanamide
CID 131916129
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(propylcarbamoyl)acetamide
CID 9055471

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 134022655) is 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CC(C1CC1)N(C)CC(=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is LDQIUPWCMHKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(12-5-6-12)18(2)10-14(19)17-15(20)16-8-7-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 134022655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).