methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

C22H21NO4S — CID 5043327

IUPACmethyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H21NO4S/c1-14(15-7-5-4-6-8-15)19-13-18(22(25)27-3)21(28-19)23-20(24)16-9-11-17(26-2)12-10-16/h4-14H,1-3H3,(H,23,24)
InChIKeyOWYVRUWHMOAZKH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.95
Rot. Bonds6

About methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (PubChem CID 5043327) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
PubChem CID5043327
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Namemethyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H21NO4S/c1-14(15-7-5-4-6-8-15)19-13-18(22(25)27-3)21(28-19)23-20(24)16-9-11-17(26-2)12-10-16/h4-14H,1-3H3,(H,23,24)
InChIKeyOWYVRUWHMOAZKH-UHFFFAOYSA-N
XLogP4.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-[(4-bromophenoxy)methyl]benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 4244576
ethyl 2-[(5-methylthiophene-3-carbonyl)amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 7027911
methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
CID 3518251
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953
ethyl 5-[(2R)-4,4-dimethylpentan-2-yl]-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 92761554
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086650
ethyl 2-(butanoylamino)-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086648
ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 2-(2-ethylbutanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92760721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (CID 5043327) is methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is COC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The InChIKey is OWYVRUWHMOAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-14(15-7-5-4-6-8-15)19-13-18(22(25)27-3)21(28-19)23-20(24)16-9-11-17(26-2)12-10-16/h4-14H,1-3H3,(H,23,24).
What are the key properties of methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is sourced from PubChem (CID 5043327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).