N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide

C21H24N2O4S — CID 55329459

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O4S/c1-16-7-8-18(28(25,26)23-11-13-27-14-12-23)15-19(16)22-20(24)21(9-10-21)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,24)
InChIKeyGFKCQXVZDPIOMU-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.69
Rot. Bonds5

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 55329459) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID55329459
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O4S/c1-16-7-8-18(28(25,26)23-11-13-27-14-12-23)15-19(16)22-20(24)21(9-10-21)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,24)
InChIKeyGFKCQXVZDPIOMU-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 39991041
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-phenyloxane-4-carboxamide
CID 55668918
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide (CID 55329459) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is GFKCQXVZDPIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-16-7-8-18(28(25,26)23-11-13-27-14-12-23)15-19(16)22-20(24)21(9-10-21)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 55329459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).