3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C22H28ClN3O5S — CID 55348894

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-18-8-6-17(7-9-18)20(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)21-5-3-2-4-19(21)23/h2-9,20,25H,10-16H2,1H3,(H,24,27)
InChIKeyQNAYMLBAUCYLNP-UHFFFAOYSA-N
MW482.00 g/mol
LogP2.21
Rot. Bonds10

About 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55348894) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55348894
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H28ClN3O5S/c1-30-18-8-6-17(7-9-18)20(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)21-5-3-2-4-19(21)23/h2-9,20,25H,10-16H2,1H3,(H,24,27)
InChIKeyQNAYMLBAUCYLNP-UHFFFAOYSA-N
XLogP2.21
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 25163879
3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 41093506
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 55348894) is 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is QNAYMLBAUCYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-30-18-8-6-17(7-9-18)20(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)21-5-3-2-4-19(21)23/h2-9,20,25H,10-16H2,1H3,(H,24,27).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 482.00 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55348894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).