2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide

C18H25ClN2O4S — CID 55657995

IUPAC2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)C2CC2c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C18H25ClN2O4S/c1-12-10-21(11-13(2)25-12)26(23,24)8-7-20-18(22)16-9-15(16)14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,20,22)
InChIKeyIXEHOOHUJLSMEB-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide (PubChem CID 55657995) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
PubChem CID55657995
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
SMILESCC1CN(S(=O)(=O)CCNC(=O)C2CC2c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C18H25ClN2O4S/c1-12-10-21(11-13(2)25-12)26(23,24)8-7-20-18(22)16-9-15(16)14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,20,22)
InChIKeyIXEHOOHUJLSMEB-UHFFFAOYSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 78837230
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide (CID 55657995) is 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide is CC1CN(S(=O)(=O)CCNC(=O)C2CC2c2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide?
The InChIKey is IXEHOOHUJLSMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-12-10-21(11-13(2)25-12)26(23,24)8-7-20-18(22)16-9-15(16)14-5-3-4-6-17(14)19/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide has a molecular weight of 400.93 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55657995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).