2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide

C23H34ClN3O4S — CID 143164533

IUPAC2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCC1CCC(CN(C)C(=O)CC2([C@H]3COC[C@@H](C)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C23H34ClN3O4S/c1-16-4-7-19(25-16)13-26(3)22(28)12-23(10-11-23)21-15-31-14-17(2)27(21)32(29,30)20-8-5-18(24)6-9-20/h5-6,8-9,16-17,19,21,25H,4,7,10-15H2,1-3H3/t16?,17-,19?,21-/m1/s1
InChIKeyRMDIKNKJQPSDNC-OQOZKDDRSA-N
MW484.06 g/mol
LogP2.89
Rot. Bonds7

About 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide

2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 143164533) has the molecular formula C23H34ClN3O4S and a molecular weight of 484.06 g/mol. Its IUPAC name is 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID143164533
Molecular FormulaC23H34ClN3O4S
Molecular Weight484.06 g/mol
Exact Mass483.20
IUPAC Name2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCC1CCC(CN(C)C(=O)CC2([C@H]3COC[C@@H](C)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)N1
InChIInChI=1S/C23H34ClN3O4S/c1-16-4-7-19(25-16)13-26(3)22(28)12-23(10-11-23)21-15-31-14-17(2)27(21)32(29,30)20-8-5-18(24)6-9-20/h5-6,8-9,16-17,19,21,25H,4,7,10-15H2,1-3H3/t16?,17-,19?,21-/m1/s1
InChIKeyRMDIKNKJQPSDNC-OQOZKDDRSA-N
XLogP2.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.06
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone
CID 70331736
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate
CID 11526349
[1-[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 67346038
2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 11663646
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] (2S,5R)-2-ethyl-5-methyl-4-methylsulfonylpiperazine-1-carboxylate
CID 59389179
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-(4-hydroxy-4-propylpiperidin-1-yl)ethanone
CID 11649179
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate
CID 11562172
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
1-(3-azabicyclo[3.2.1]octan-3-yl)-2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl]-2-hydroxyethanone
CID 58602865
2-[1-[(4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxypiperidin-2-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 58584490
methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate
CID 134943572
[1-[(3R,5R,6R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropyl-6-methylmorpholin-3-yl]cyclopropyl] 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 59389227

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide (CID 143164533) is 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide is CC1CCC(CN(C)C(=O)CC2([C@H]3COC[C@@H](C)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)N1.
What is the InChIKey of 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is RMDIKNKJQPSDNC-OQOZKDDRSA-N. The full InChI is InChI=1S/C23H34ClN3O4S/c1-16-4-7-19(25-16)13-26(3)22(28)12-23(10-11-23)21-15-31-14-17(2)27(21)32(29,30)20-8-5-18(24)6-9-20/h5-6,8-9,16-17,19,21,25H,4,7,10-15H2,1-3H3/t16?,17-,19?,21-/m1/s1.
What are the key properties of 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide?
2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 484.06 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 143164533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).