N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide

C20H17F2NO2S — CID 16561484

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C20H17F2NO2S/c1-13-7-12-17(26-13)19(24)23-18(14-5-3-2-4-6-14)15-8-10-16(11-9-15)25-20(21)22/h2-12,18,20H,1H3,(H,23,24)
InChIKeyHCPNPAXIYBBWAA-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.18
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide (PubChem CID 16561484) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
PubChem CID16561484
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C20H17F2NO2S/c1-13-7-12-17(26-13)19(24)23-18(14-5-3-2-4-6-14)15-8-10-16(11-9-15)25-20(21)22/h2-12,18,20H,1H3,(H,23,24)
InChIKeyHCPNPAXIYBBWAA-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
CID 25440599
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
N-[(4-methoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24641645
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220
ethyl 2-[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylacetate
CID 8594821
N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 46433418
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597044
N-[1-(4-methoxyphenyl)-2-methylpropyl]-5-methylthiophene-2-carboxamide
CID 60605702
4-[(E)-3-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 42947503

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide (CID 16561484) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is HCPNPAXIYBBWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-13-7-12-17(26-13)19(24)23-18(14-5-3-2-4-6-14)15-8-10-16(11-9-15)25-20(21)22/h2-12,18,20H,1H3,(H,23,24).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 16561484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).