propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate

C16H19NO3S — CID 61309709

IUPACpropan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(C)cc1-c1csc(N)c1C(=O)OC(C)C
InChIInChI=1S/C16H19NO3S/c1-9(2)20-16(18)14-12(8-21-15(14)17)11-7-10(3)5-6-13(11)19-4/h5-9H,17H2,1-4H3
InChIKeyYCCRXQFKJRPDCL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.88
Rot. Bonds4

About propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate

propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate (PubChem CID 61309709) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate
PubChem CID61309709
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namepropan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(C)cc1-c1csc(N)c1C(=O)OC(C)C
InChIInChI=1S/C16H19NO3S/c1-9(2)20-16(18)14-12(8-21-15(14)17)11-7-10(3)5-6-13(11)19-4/h5-9H,17H2,1-4H3
InChIKeyYCCRXQFKJRPDCL-UHFFFAOYSA-N
XLogP3.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-amino-4-(2,4-dichloro-5-fluorophenyl)thiophene-3-carboxylate
CID 63472842
propan-2-yl 2-amino-4-(3-chlorophenyl)thiophene-3-carboxylate
CID 63470747
propan-2-yl 2-amino-4-[3,4-bis(hydroxymethyl)phenyl]thiophene-3-carboxylate
CID 71076017
methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 71009749
propan-2-yl 2-amino-3-ethoxy-6-methoxybenzoate
CID 63327436
3-(2-methoxy-5-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 82390676
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate (CID 61309709) is propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate is COc1ccc(C)cc1-c1csc(N)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate?
The InChIKey is YCCRXQFKJRPDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-9(2)20-16(18)14-12(8-21-15(14)17)11-7-10(3)5-6-13(11)19-4/h5-9H,17H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate?
propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 61309709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).