4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide

C23H31N3O4S — CID 100524022

IUPAC4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCCc1ccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O4S/c1-3-19-6-10-22(11-7-19)26(31(2,28)29)14-4-5-23(27)24-20-8-12-21(13-9-20)25-15-17-30-18-16-25/h6-13H,3-5,14-18H2,1-2H3,(H,24,27)
InChIKeyQNHVEORLXJDSSL-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.27
Rot. Bonds9

About 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide

4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 100524022) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
PubChem CID100524022
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCCc1ccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31N3O4S/c1-3-19-6-10-22(11-7-19)26(31(2,28)29)14-4-5-23(27)24-20-8-12-21(13-9-20)25-15-17-30-18-16-25/h6-13H,3-5,14-18H2,1-2H3,(H,24,27)
InChIKeyQNHVEORLXJDSSL-UHFFFAOYSA-N
XLogP3.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 53288075
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 53288224
4-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100506301
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519859
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100520127

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide (CID 100524022) is 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide is CCc1ccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is QNHVEORLXJDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-19-6-10-22(11-7-19)26(31(2,28)29)14-4-5-23(27)24-20-8-12-21(13-9-20)25-15-17-30-18-16-25/h6-13H,3-5,14-18H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide?
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 445.59 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 100524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).