2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide

C12H17N3O2S — CID 61168568

IUPAC2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H17N3O2S/c13-5-11(16)14-6-12(17)15(10-1-2-10)7-9-3-4-18-8-9/h3-4,8,10H,1-2,5-7,13H2,(H,14,16)
InChIKeyDYQGILWTVRYUJW-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.31
Rot. Bonds6

About 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide (PubChem CID 61168568) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
PubChem CID61168568
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H17N3O2S/c13-5-11(16)14-6-12(17)15(10-1-2-10)7-9-3-4-18-8-9/h3-4,8,10H,1-2,5-7,13H2,(H,14,16)
InChIKeyDYQGILWTVRYUJW-UHFFFAOYSA-N
XLogP0.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide (CID 61168568) is 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is DYQGILWTVRYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-5-11(16)14-6-12(17)15(10-1-2-10)7-9-3-4-18-8-9/h3-4,8,10H,1-2,5-7,13H2,(H,14,16).
What are the key properties of 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).