N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide

C20H24ClN3O4S — CID 4173641

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14(2)20(25)22-15-7-8-18(24-9-11-28-12-10-24)19(13-15)29(26,27)23-17-6-4-3-5-16(17)21/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyAKKSCNHOUIVMFJ-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.57
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide (PubChem CID 4173641) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
PubChem CID4173641
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14(2)20(25)22-15-7-8-18(24-9-11-28-12-10-24)19(13-15)29(26,27)23-17-6-4-3-5-16(17)21/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyAKKSCNHOUIVMFJ-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.57
H-Bond Donors ≤ 52
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

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
CID 4072808
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
1-[2-Chloro-4-(morpholine-4-sulfonyl)-phenyl]-piperidine-4-carboxylic acid propylamide
CID 3227693
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-prop-2-enylthiourea
CID 3635236
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-[[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamothioyl]acetamide
CID 4308297
N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4424826
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(cyclohexylamino)acetamide
CID 4464092

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide (CID 4173641) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide?
The InChIKey is AKKSCNHOUIVMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-14(2)20(25)22-15-7-8-18(24-9-11-28-12-10-24)19(13-15)29(26,27)23-17-6-4-3-5-16(17)21/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide has a molecular weight of 437.95 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-methylpropanamide is sourced from PubChem (CID 4173641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).