N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

C23H31N3O7S2 — CID 43900529

IUPACN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C23H31N3O7S2/c1-4-22(18-5-9-20(32-2)10-6-18)24-23(27)17-26(34(3,28)29)19-7-11-21(12-8-19)35(30,31)25-13-15-33-16-14-25/h5-12,22H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyYLIIEGRXEILVOB-UHFFFAOYSA-N
MW525.65 g/mol
LogP1.75
Rot. Bonds10

About N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 43900529) has the molecular formula C23H31N3O7S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID43900529
Molecular FormulaC23H31N3O7S2
Molecular Weight525.65 g/mol
Exact Mass525.16
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C23H31N3O7S2/c1-4-22(18-5-9-20(32-2)10-6-18)24-23(27)17-26(34(3,28)29)19-7-11-21(12-8-19)35(30,31)25-13-15-33-16-14-25/h5-12,22H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyYLIIEGRXEILVOB-UHFFFAOYSA-N
XLogP1.75
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30219828
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901468
N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900504
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898665
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (CID 43900529) is N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is CCC(NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is YLIIEGRXEILVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S2/c1-4-22(18-5-9-20(32-2)10-6-18)24-23(27)17-26(34(3,28)29)19-7-11-21(12-8-19)35(30,31)25-13-15-33-16-14-25/h5-12,22H,4,13-17H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 525.65 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43900529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).