N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide

C19H16FNO3S2 — CID 46566188

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H16FNO3S2/c1-26(23,24)16-10-6-14(7-11-16)19(22)21-18(17-3-2-12-25-17)13-4-8-15(20)9-5-13/h2-12,18H,1H3,(H,21,22)
InChIKeySPVYRKBEZRFQET-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide (PubChem CID 46566188) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
PubChem CID46566188
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H16FNO3S2/c1-26(23,24)16-10-6-14(7-11-16)19(22)21-18(17-3-2-12-25-17)13-4-8-15(20)9-5-13/h2-12,18H,1H3,(H,21,22)
InChIKeySPVYRKBEZRFQET-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
4-amino-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 41263224
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide (CID 46566188) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide?
The InChIKey is SPVYRKBEZRFQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-26(23,24)16-10-6-14(7-11-16)19(22)21-18(17-3-2-12-25-17)13-4-8-15(20)9-5-13/h2-12,18H,1H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide has a molecular weight of 389.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 46566188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).