2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

C22H27ClN2O5S2 — CID 24555330

IUPAC2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O5S2/c1-15(2)30-21-9-8-19(32(27,28)25-10-12-29-13-11-25)14-20(21)24-22(26)16(3)31-18-6-4-17(23)5-7-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)
InChIKeyLZTKBPNITLBLMU-UHFFFAOYSA-N
MW499.05 g/mol
LogP4.27
Rot. Bonds8

About 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (PubChem CID 24555330) has the molecular formula C22H27ClN2O5S2 and a molecular weight of 499.05 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
PubChem CID24555330
Molecular FormulaC22H27ClN2O5S2
Molecular Weight499.05 g/mol
Exact Mass498.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O5S2/c1-15(2)30-21-9-8-19(32(27,28)25-10-12-29-13-11-25)14-20(21)24-22(26)16(3)31-18-6-4-17(23)5-7-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)
InChIKeyLZTKBPNITLBLMU-UHFFFAOYSA-N
XLogP4.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.05
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 43024520
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 30725240
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 43904512
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 94020015
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (CID 24555330) is 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The InChIKey is LZTKBPNITLBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S2/c1-15(2)30-21-9-8-19(32(27,28)25-10-12-29-13-11-25)14-20(21)24-22(26)16(3)31-18-6-4-17(23)5-7-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide has a molecular weight of 499.05 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 24555330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).