N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C20H16F2N2O4S — CID 18207648

IUPACN-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC(F)F
InChIInChI=1S/C20H16F2N2O4S/c1-27-15-8-7-14(11-16(15)28-20(21)22)23-18(25)12-4-2-5-13(10-12)24-19(26)17-6-3-9-29-17/h2-11,20H,1H3,(H,23,25)(H,24,26)
InChIKeyNLIQXKZGIGYFSY-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18207648) has the molecular formula C20H16F2N2O4S and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID18207648
Molecular FormulaC20H16F2N2O4S
Molecular Weight418.42 g/mol
Exact Mass418.08
IUPAC NameN-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC(F)F
InChIInChI=1S/C20H16F2N2O4S/c1-27-15-8-7-14(11-16(15)28-20(21)22)23-18(25)12-4-2-5-13(10-12)24-19(26)17-6-3-9-29-17/h2-11,20H,1H3,(H,23,25)(H,24,26)
InChIKeyNLIQXKZGIGYFSY-UHFFFAOYSA-N
XLogP4.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 18207648) is N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC(F)F.
What is the InChIKey of N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NLIQXKZGIGYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4S/c1-27-15-8-7-14(11-16(15)28-20(21)22)23-18(25)12-4-2-5-13(10-12)24-19(26)17-6-3-9-29-17/h2-11,20H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18207648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).