2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid

C18H14ClF2NO5S — CID 67244336

IUPAC2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1Cl)c(CC(=O)O)c(C)n2C(=O)c1csc(OC(F)F)c1
InChIInChI=1S/C18H14ClF2NO5S/c1-8-10(6-13(23)24)15-11(3-4-12(26-2)16(15)19)22(8)17(25)9-5-14(28-7-9)27-18(20)21/h3-5,7,18H,6H2,1-2H3,(H,23,24)
InChIKeyKWOVFVDNWOGDJL-UHFFFAOYSA-N
MW429.83 g/mol
LogP4.59
Rot. Bonds6

About 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid

2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid (PubChem CID 67244336) has the molecular formula C18H14ClF2NO5S and a molecular weight of 429.83 g/mol. Its IUPAC name is 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
PubChem CID67244336
Molecular FormulaC18H14ClF2NO5S
Molecular Weight429.83 g/mol
Exact Mass429.02
IUPAC Name2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1Cl)c(CC(=O)O)c(C)n2C(=O)c1csc(OC(F)F)c1
InChIInChI=1S/C18H14ClF2NO5S/c1-8-10(6-13(23)24)15-11(3-4-12(26-2)16(15)19)22(8)17(25)9-5-14(28-7-9)27-18(20)21/h3-5,7,18H,6H2,1-2H3,(H,23,24)
InChIKeyKWOVFVDNWOGDJL-UHFFFAOYSA-N
XLogP4.59
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid with MolForge

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Related Compounds

2-[4-chloro-5-hydroxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 67244110
2-[1-(5-bromothiophene-2-carbonyl)-4-chloro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 67244955
2-[4-chloro-5-methoxy-2-methyl-1-[5-(1,1,2,2,2-pentafluoroethoxy)thiophene-2-carbonyl]indol-3-yl]acetic acid
CID 87322591
2-[6-chloro-1-[5-(difluoromethyl)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453679
2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
2-[4-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487991
2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 11554156
2-[1-[5-(difluoromethyl)thiophene-3-carbonyl]-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 67243879
2-[6-chloro-1-(5-fluorothiophene-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453737
2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
CID 54561553
2-[4-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid
CID 67244452
2-[6-chloro-5-hydroxy-2-methyl-1-[5-(1,1,2,2-tetrafluoroethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 18453768

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid (CID 67244336) is 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid is COc1ccc2c(c1Cl)c(CC(=O)O)c(C)n2C(=O)c1csc(OC(F)F)c1.
What is the InChIKey of 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid?
The InChIKey is KWOVFVDNWOGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO5S/c1-8-10(6-13(23)24)15-11(3-4-12(26-2)16(15)19)22(8)17(25)9-5-14(28-7-9)27-18(20)21/h3-5,7,18H,6H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid?
2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid has a molecular weight of 429.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 67244336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).