2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid

C15H11ClFNO6S — CID 15056653

IUPAC2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid
SMILESCOC(=O)COc1cc(NC(=O)c2sccc2C(=O)O)c(F)cc1Cl
InChIInChI=1S/C15H11ClFNO6S/c1-23-12(19)6-24-11-5-10(9(17)4-8(11)16)18-14(20)13-7(15(21)22)2-3-25-13/h2-5H,6H2,1H3,(H,18,20)(H,21,22)
InChIKeyMSKUURVHXAKIMS-UHFFFAOYSA-N
MW387.77 g/mol
LogP3.04
Rot. Bonds6

About 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid

2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid (PubChem CID 15056653) has the molecular formula C15H11ClFNO6S and a molecular weight of 387.77 g/mol. Its IUPAC name is 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid
PubChem CID15056653
Molecular FormulaC15H11ClFNO6S
Molecular Weight387.77 g/mol
Exact Mass387.00
IUPAC Name2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid
SMILESCOC(=O)COc1cc(NC(=O)c2sccc2C(=O)O)c(F)cc1Cl
InChIInChI=1S/C15H11ClFNO6S/c1-23-12(19)6-24-11-5-10(9(17)4-8(11)16)18-14(20)13-7(15(21)22)2-3-25-13/h2-5H,6H2,1H3,(H,18,20)(H,21,22)
InChIKeyMSKUURVHXAKIMS-UHFFFAOYSA-N
XLogP3.04
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

[2-[(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)carbamoyl]thiophen-3-yl] hydrogen carbonate
CID 87351077
2-[[5-[(5-chloro-1,3-benzothiazol-4-yl)methoxy]-2-fluoro-4-methoxyphenyl]carbamoylamino]oxycarbonylthiophene-3-carboxylic acid
CID 175806517
methyl 2-[2-[2-chloro-5-(3,3-dihydroxybutanoylamino)-4-fluorophenoxy]phenoxy]acetate
CID 21053879
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
3-[(2,4-dichloro-5-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43171762
2-[(2-chloroacetyl)-[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 19096774
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126498
methyl 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 55812005
3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336099
2-[4-fluoro-2-(2-methoxyethoxy)benzoyl]thiophene-3-carboxylic acid
CID 169136497

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid (CID 15056653) is 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid is COC(=O)COc1cc(NC(=O)c2sccc2C(=O)O)c(F)cc1Cl.
What is the InChIKey of 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid?
The InChIKey is MSKUURVHXAKIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO6S/c1-23-12(19)6-24-11-5-10(9(17)4-8(11)16)18-14(20)13-7(15(21)22)2-3-25-13/h2-5H,6H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid?
2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid has a molecular weight of 387.77 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 15056653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).