2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C27H29N3O5S — CID 17201133

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H29N3O5S/c1-20-12-13-21(2)25(18-20)30(36(33,34)22-8-4-3-5-9-22)19-26(31)28-24-11-7-6-10-23(24)27(32)29-14-16-35-17-15-29/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)
InChIKeyLGDCILZHNCQDPJ-UHFFFAOYSA-N
MW507.61 g/mol
LogP3.61
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 17201133) has the molecular formula C27H29N3O5S and a molecular weight of 507.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID17201133
Molecular FormulaC27H29N3O5S
Molecular Weight507.61 g/mol
Exact Mass507.18
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C27H29N3O5S/c1-20-12-13-21(2)25(18-20)30(36(33,34)22-8-4-3-5-9-22)19-26(31)28-24-11-7-6-10-23(24)27(32)29-14-16-35-17-15-29/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)
InChIKeyLGDCILZHNCQDPJ-UHFFFAOYSA-N
XLogP3.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]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

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 23795569
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17312988
2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126126509
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17313016
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2968964
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4151402
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
2-(4-methylphenyl)sulfonyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17309534
2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 17201133) is 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is LGDCILZHNCQDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5S/c1-20-12-13-21(2)25(18-20)30(36(33,34)22-8-4-3-5-9-22)19-26(31)28-24-11-7-6-10-23(24)27(32)29-14-16-35-17-15-29/h3-13,18H,14-17,19H2,1-2H3,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 507.61 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17201133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).