N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H24N4O5S — CID 1298827

IUPACN-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H24N4O5S/c1-14(22)18-15-2-4-16(5-3-15)27(24,25)21-8-6-19(7-9-21)17(23)20-10-12-26-13-11-20/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyNAUJCPRKFHRGBT-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.40
Rot. Bonds3

About N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1298827) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1298827
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC NameN-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H24N4O5S/c1-14(22)18-15-2-4-16(5-3-15)27(24,25)21-8-6-19(7-9-21)17(23)20-10-12-26-13-11-20/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyNAUJCPRKFHRGBT-UHFFFAOYSA-N
XLogP0.40
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester
CID 3067696
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
N-Phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 45555989
N-{4-[4-(Piperidine-1-carbonyl)-piperazine-1-sulfonyl]-phenyl}-acrylamide
CID 52938046

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1298827) is N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is NAUJCPRKFHRGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-14(22)18-15-2-4-16(5-3-15)27(24,25)21-8-6-19(7-9-21)17(23)20-10-12-26-13-11-20/h2-5H,6-13H2,1H3,(H,18,22).
What are the key properties of N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1298827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).