ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid

C20H19FN2O4S — CID 143950072

IUPACethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCC.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1
InChIInChI=1S/C18H13FN2O4S.C2H6/c1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-2/h2-9H,1H3,(H,21,22)(H,23,24);1-2H3
InChIKeyBQRYQCLMFHHVIS-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.93
Rot. Bonds5

About ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid

ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid (PubChem CID 143950072) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
PubChem CID143950072
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Nameethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCC.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1
InChIInChI=1S/C18H13FN2O4S.C2H6/c1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-2/h2-9H,1H3,(H,21,22)(H,23,24);1-2H3
InChIKeyBQRYQCLMFHHVIS-UHFFFAOYSA-N
XLogP4.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 25225584
4-(4-ethylphenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 28859866
4-(3-chlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225583
2-[(3-methylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 1037842
4-(2,4-dichlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225581
methyl 4-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 1223114
2-[(3-bromobenzoyl)amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 23736184
2-[(3-methylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 25226135
2-[(4-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
CID 829695
2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 88966042
4-(2,3-difluoro-4-methylphenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 89458019
2-benzamido-4-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 139391684

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The IUPAC name of ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid (CID 143950072) is ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid.
What is the SMILES notation for ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The canonical SMILES for ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid is CC.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1.
What is the InChIKey of ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
The InChIKey is BQRYQCLMFHHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S.C2H6/c1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-2/h2-9H,1H3,(H,21,22)(H,23,24);1-2H3.
What are the key properties of ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid?
ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid has a molecular weight of 402.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 143950072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).