N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide

C21H26N2O4S — CID 55704601

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)28(25,26)23-13-15-27-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24)
InChIKeyMLXANYRPHDUZLN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.35
Rot. Bonds8

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide (PubChem CID 55704601) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
PubChem CID55704601
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)28(25,26)23-13-15-27-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24)
InChIKeyMLXANYRPHDUZLN-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55839411
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
CID 30505444
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55709889
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 17474569

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide (CID 55704601) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide?
The InChIKey is MLXANYRPHDUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)28(25,26)23-13-15-27-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide has a molecular weight of 402.52 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 55704601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).