ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate

C12H17NO3S — CID 54896878

IUPACethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccs1)C(C)C
InChIInChI=1S/C12H17NO3S/c1-4-16-11(14)8-13(9(2)3)12(15)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3
InChIKeyFGBOEZMTAMAMOE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.16
Rot. Bonds5

About ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate

ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate (PubChem CID 54896878) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
PubChem CID54896878
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccs1)C(C)C
InChIInChI=1S/C12H17NO3S/c1-4-16-11(14)8-13(9(2)3)12(15)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3
InChIKeyFGBOEZMTAMAMOE-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
ethyl 3,5-dimethyl-4-[2-[propan-2-yl(thiophene-2-carbonyl)amino]acetyl]-1H-pyrrole-2-carboxylate
CID 42671107
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 80666303
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
CID 144888104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate (CID 54896878) is ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1cccs1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is FGBOEZMTAMAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-16-11(14)8-13(9(2)3)12(15)10-6-5-7-17-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate?
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 255.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 54896878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).