N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide

C18H27N3O5S — CID 110285631

IUPACN-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-13(2)12-17(18(23)21-8-10-26-11-9-21)20-27(24,25)16-6-4-15(5-7-16)19-14(3)22/h4-7,13,17,20H,8-12H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyGHHNTKOVZIHFPN-KRWDZBQOSA-N
MW397.50 g/mol
LogP1.20
Rot. Bonds7

About N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 110285631) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID110285631
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O5S/c1-13(2)12-17(18(23)21-8-10-26-11-9-21)20-27(24,25)16-6-4-15(5-7-16)19-14(3)22/h4-7,13,17,20H,8-12H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyGHHNTKOVZIHFPN-KRWDZBQOSA-N
XLogP1.20
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
N-[4-methyl-1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-2-yl]-4-phenylmethoxybenzenesulfonamide
CID 155168559
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
N-[4-[(4-methyl-2-morpholin-4-ylpentyl)sulfamoyl]phenyl]acetamide
CID 110403337
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methylbenzenesulfonamide
CID 134917744
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
4-methyl-N-[1-[10-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110901
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756
4-methyl-N-[1-[13-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110902
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide (CID 110285631) is N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is GHHNTKOVZIHFPN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-13(2)12-17(18(23)21-8-10-26-11-9-21)20-27(24,25)16-6-4-15(5-7-16)19-14(3)22/h4-7,13,17,20H,8-12H2,1-3H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110285631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).