N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C22H27N3O5S — CID 55328411

IUPACN,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-4-9-19(31(3,28)29)14-20(16)22(27)24(2)15-21(26)23-17-5-7-18(8-6-17)25-10-12-30-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyHNBSQUJHRYCGFP-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.95
Rot. Bonds6

About N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 55328411) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID55328411
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-4-9-19(31(3,28)29)14-20(16)22(27)24(2)15-21(26)23-17-5-7-18(8-6-17)25-10-12-30-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyHNBSQUJHRYCGFP-UHFFFAOYSA-N
XLogP1.95
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55347891
N,2,5-trimethyl-1-(2-methylphenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrole-3-carboxamide
CID 55347966
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 55362471
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754799

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 55328411) is N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is HNBSQUJHRYCGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-4-9-19(31(3,28)29)14-20(16)22(27)24(2)15-21(26)23-17-5-7-18(8-6-17)25-10-12-30-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,26).
What are the key properties of N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55328411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).