(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C24H32N4O5S — CID 41144591

IUPAC(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H32N4O5S/c1-18-7-8-20(17-23(18)34(31,32)28-13-15-33-16-14-28)25-24(30)19(2)26-9-11-27(12-10-26)21-5-3-4-6-22(21)29/h3-8,17,19,29H,9-16H2,1-2H3,(H,25,30)/t19-/m0/s1
InChIKeyUQOJXADDIXKEKH-IBGZPJMESA-N
MW488.61 g/mol
LogP1.87
Rot. Bonds6

About (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 41144591) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID41144591
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H32N4O5S/c1-18-7-8-20(17-23(18)34(31,32)28-13-15-33-16-14-28)25-24(30)19(2)26-9-11-27(12-10-26)21-5-3-4-6-22(21)29/h3-8,17,19,29H,9-16H2,1-2H3,(H,25,30)/t19-/m0/s1
InChIKeyUQOJXADDIXKEKH-IBGZPJMESA-N
XLogP1.87
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41000946
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124809702
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25347097
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 41144591) is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is UQOJXADDIXKEKH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-18-7-8-20(17-23(18)34(31,32)28-13-15-33-16-14-28)25-24(30)19(2)26-9-11-27(12-10-26)21-5-3-4-6-22(21)29/h3-8,17,19,29H,9-16H2,1-2H3,(H,25,30)/t19-/m0/s1.
What are the key properties of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 41144591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).