N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide

C20H25N3O4S — CID 95396995

IUPACN-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15(17-3-7-19(8-4-17)23-11-13-27-14-12-23)22-28(25,26)20-9-5-18(6-10-20)21-16(2)24/h3-10,15,22H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyLKXZQVHGRMOXTF-OAHLLOKOSA-N
MW403.50 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide

N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 95396995) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
PubChem CID95396995
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15(17-3-7-19(8-4-17)23-11-13-27-14-12-23)22-28(25,26)20-9-5-18(6-10-20)21-16(2)24/h3-10,15,22H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyLKXZQVHGRMOXTF-OAHLLOKOSA-N
XLogP2.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 95397526
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
(3S)-3-[(4-methylphenyl)sulfonylamino]-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 160716542
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide (CID 95396995) is N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is LKXZQVHGRMOXTF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(17-3-7-19(8-4-17)23-11-13-27-14-12-23)22-28(25,26)20-9-5-18(6-10-20)21-16(2)24/h3-10,15,22H,11-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 95396995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).