N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide

C17H24N2O4S — CID 51152560

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3C)cc2)CC(C)O1
InChIInChI=1S/C17H24N2O4S/c1-11-8-16(11)17(20)18-14-4-6-15(7-5-14)24(21,22)19-9-12(2)23-13(3)10-19/h4-7,11-13,16H,8-10H2,1-3H3,(H,18,20)
InChIKeyPCKSKEDSHNEJPX-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 51152560) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID51152560
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3C)cc2)CC(C)O1
InChIInChI=1S/C17H24N2O4S/c1-11-8-16(11)17(20)18-14-4-6-15(7-5-14)24(21,22)19-9-12(2)23-13(3)10-19/h4-7,11-13,16H,8-10H2,1-3H3,(H,18,20)
InChIKeyPCKSKEDSHNEJPX-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
CID 9171233
dimethyl (E)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]but-2-enedioate
CID 168570463
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide (CID 51152560) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)C3CC3C)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is PCKSKEDSHNEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-11-8-16(11)17(20)18-14-4-6-15(7-5-14)24(21,22)19-9-12(2)23-13(3)10-19/h4-7,11-13,16H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51152560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).