N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

C21H18F2N2O3S — CID 49336502

IUPACN-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-21(23)28-17-4-1-3-15(11-17)13-24-19(26)16-8-6-14(7-9-16)12-25-20(27)18-5-2-10-29-18/h1-11,21H,12-13H2,(H,24,26)(H,25,27)
InChIKeyRLMVYKAPTOSAGO-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.21
Rot. Bonds8

About N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 49336502) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID49336502
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C21H18F2N2O3S/c22-21(23)28-17-4-1-3-15(11-17)13-24-19(26)16-8-6-14(7-9-16)12-25-20(27)18-5-2-10-29-18/h1-11,21H,12-13H2,(H,24,26)(H,25,27)
InChIKeyRLMVYKAPTOSAGO-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
N-[[4-[[3-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55800453

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 49336502) is N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1cccc(OC(F)F)c1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is RLMVYKAPTOSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c22-21(23)28-17-4-1-3-15(11-17)13-24-19(26)16-8-6-14(7-9-16)12-25-20(27)18-5-2-10-29-18/h1-11,21H,12-13H2,(H,24,26)(H,25,27).
What are the key properties of N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 49336502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).