propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate

C18H20ClNO4S — CID 5185070

IUPACpropan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C18H20ClNO4S/c1-9(2)24-18(22)15-10(3)11(4)25-17(15)20-16(21)13-8-12(19)6-7-14(13)23-5/h6-9H,1-5H3,(H,20,21)
InChIKeyXXRQCEQMMFSFRD-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.84
Rot. Bonds5

About propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate

propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 5185070) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID5185070
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Namepropan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C18H20ClNO4S/c1-9(2)24-18(22)15-10(3)11(4)25-17(15)20-16(21)13-8-12(19)6-7-14(13)23-5/h6-9H,1-5H3,(H,20,21)
InChIKeyXXRQCEQMMFSFRD-UHFFFAOYSA-N
XLogP4.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3418853
propan-2-yl 2-[(4-chloro-2-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1293111
propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3566052
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
propan-2-yl 2-[(2,5-dichlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4059324
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1001341
propan-2-yl 4,5-dimethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 5211672
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
propan-2-yl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3337583
methyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7289997
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1222700
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1282917

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 5185070) is propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is COc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is XXRQCEQMMFSFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-9(2)24-18(22)15-10(3)11(4)25-17(15)20-16(21)13-8-12(19)6-7-14(13)23-5/h6-9H,1-5H3,(H,20,21).
What are the key properties of propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate?
propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 381.88 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 5185070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).