propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate

C16H17NO3S — CID 52946152

IUPACpropan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
SMILESCC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyIKURLBUMVCRMBN-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.49
Rot. Bonds5

About propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate

propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate (PubChem CID 52946152) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
PubChem CID52946152
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Namepropan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
SMILESCC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyIKURLBUMVCRMBN-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(2-(2-thienyl)acetamido)thiophene-2-carboxylate
CID 2808202
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 970042
Methyl 3-[(3-chlorobenzoyl)amino]-2-thiophenecarboxylate
CID 2163771
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343
Methyl 3-[(3-cyanobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 2808361
2-({[2-(Methoxycarbonyl)-3-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
CID 2933845

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate (CID 52946152) is propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate is CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1.
What is the InChIKey of propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is IKURLBUMVCRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11(2)20-16(19)15-13(8-9-21-15)17-14(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate?
propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2-phenylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 52946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).