4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide

C24H22F2N2O3S2 — CID 24617829

IUPAC4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2ccc(SC(F)F)cc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H22F2N2O3S2/c1-15-19(23(30)28-11-13-31-14-12-28)22(33-20(15)16-5-3-2-4-6-16)27-21(29)17-7-9-18(10-8-17)32-24(25)26/h2-10,24H,11-14H2,1H3,(H,27,29)
InChIKeyBIQSPDPMYBARHV-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.76
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide

4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide (PubChem CID 24617829) has the molecular formula C24H22F2N2O3S2 and a molecular weight of 488.58 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
PubChem CID24617829
Molecular FormulaC24H22F2N2O3S2
Molecular Weight488.58 g/mol
Exact Mass488.10
IUPAC Name4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2ccc(SC(F)F)cc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H22F2N2O3S2/c1-15-19(23(30)28-11-13-31-14-12-28)22(33-20(15)16-5-3-2-4-6-16)27-21(29)17-7-9-18(10-8-17)32-24(25)26/h2-10,24H,11-14H2,1H3,(H,27,29)
InChIKeyBIQSPDPMYBARHV-UHFFFAOYSA-N
XLogP5.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
(3S)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30845214
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
CID 30972009
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
CID 31287590

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide (CID 24617829) is 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide is Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(SC(F)F)cc2)c1C(=O)N1CCOCC1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide?
The InChIKey is BIQSPDPMYBARHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3S2/c1-15-19(23(30)28-11-13-31-14-12-28)22(33-20(15)16-5-3-2-4-6-16)27-21(29)17-7-9-18(10-8-17)32-24(25)26/h2-10,24H,11-14H2,1H3,(H,27,29).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide?
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide has a molecular weight of 488.58 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide is sourced from PubChem (CID 24617829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).