N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide

C23H28F2N2O6S — CID 55578790

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28F2N2O6S/c1-4-17-6-7-18(14-21(17)34(29,30)27-9-11-32-12-10-27)22(28)26(2)15-16-5-8-19(33-23(24)25)20(13-16)31-3/h5-8,13-14,23H,4,9-12,15H2,1-3H3
InChIKeyKMZPMNCIWHDHPO-UHFFFAOYSA-N
MW498.55 g/mol
LogP3.15
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55578790) has the molecular formula C23H28F2N2O6S and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55578790
Molecular FormulaC23H28F2N2O6S
Molecular Weight498.55 g/mol
Exact Mass498.16
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28F2N2O6S/c1-4-17-6-7-18(14-21(17)34(29,30)27-9-11-32-12-10-27)22(28)26(2)15-16-5-8-19(33-23(24)25)20(13-16)31-3/h5-8,13-14,23H,4,9-12,15H2,1-3H3
InChIKeyKMZPMNCIWHDHPO-UHFFFAOYSA-N
XLogP3.15
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 34440417
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
N-(3-amino-2,2-dimethylpropyl)-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119653213
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 55578790) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KMZPMNCIWHDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O6S/c1-4-17-6-7-18(14-21(17)34(29,30)27-9-11-32-12-10-27)22(28)26(2)15-16-5-8-19(33-23(24)25)20(13-16)31-3/h5-8,13-14,23H,4,9-12,15H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 498.55 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55578790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).