N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide

C20H32N4O4S2 — CID 25163270

IUPACN-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCSC)CC1
InChIInChI=1S/C20H32N4O4S2/c1-3-22-7-9-23(10-8-22)19-5-4-17(16-18(19)21-20(25)6-15-29-2)30(26,27)24-11-13-28-14-12-24/h4-5,16H,3,6-15H2,1-2H3,(H,21,25)
InChIKeyFKQZZHIIHDKODQ-UHFFFAOYSA-N
MW456.63 g/mol
LogP1.54
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide

N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide (PubChem CID 25163270) has the molecular formula C20H32N4O4S2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
PubChem CID25163270
Molecular FormulaC20H32N4O4S2
Molecular Weight456.63 g/mol
Exact Mass456.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCSC)CC1
InChIInChI=1S/C20H32N4O4S2/c1-3-22-7-9-23(10-8-22)19-5-4-17(16-18(19)21-20(25)6-15-29-2)30(26,27)24-11-13-28-14-12-24/h4-5,16H,3,6-15H2,1-2H3,(H,21,25)
InChIKeyFKQZZHIIHDKODQ-UHFFFAOYSA-N
XLogP1.54
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
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CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135520961
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557
N-(4-{[4-(4-morpholinylcarbonyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
CID 1298827
N-(4-{[4-(2-morpholino-2-oxoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2815598
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide (CID 25163270) is N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCSC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
The InChIKey is FKQZZHIIHDKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S2/c1-3-22-7-9-23(10-8-22)19-5-4-17(16-18(19)21-20(25)6-15-29-2)30(26,27)24-11-13-28-14-12-24/h4-5,16H,3,6-15H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide?
N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide has a molecular weight of 456.63 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 25163270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).