(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide

C18H26ClN3O5S — CID 124886647

IUPAC(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C18H26ClN3O5S/c1-20(6-7-21-8-11-26-12-9-21)18(23)16-14-22(10-13-27-16)28(24,25)17-5-3-2-4-15(17)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1
InChIKeyOONZWIUARDGONK-INIZCTEOSA-N
MW431.94 g/mol
LogP0.52
Rot. Bonds6

About (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide

(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide (PubChem CID 124886647) has the molecular formula C18H26ClN3O5S and a molecular weight of 431.94 g/mol. Its IUPAC name is (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
PubChem CID124886647
Molecular FormulaC18H26ClN3O5S
Molecular Weight431.94 g/mol
Exact Mass431.13
IUPAC Name(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C18H26ClN3O5S/c1-20(6-7-21-8-11-26-12-9-21)18(23)16-14-22(10-13-27-16)28(24,25)17-5-3-2-4-15(17)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1
InChIKeyOONZWIUARDGONK-INIZCTEOSA-N
XLogP0.52
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
CID 124743243
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 124886281
[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 124725255
4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
CID 124887641
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630
2-[[4-(3-chloro-2-methylphenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072081
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide (CID 124886647) is (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide is CN(CCN1CCOCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1.
What is the InChIKey of (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide?
The InChIKey is OONZWIUARDGONK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26ClN3O5S/c1-20(6-7-21-8-11-26-12-9-21)18(23)16-14-22(10-13-27-16)28(24,25)17-5-3-2-4-15(17)19/h2-5,16H,6-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide?
(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide has a molecular weight of 431.94 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide is sourced from PubChem (CID 124886647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).