N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C25H29N3O3S — CID 30210908

IUPACN-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C25H29N3O3S/c1-20-13-15-23(16-14-20)32(30,31)28(24-12-8-7-9-21(24)2)19-25(29)26-17-18-27(3)22-10-5-4-6-11-22/h4-16H,17-19H2,1-3H3,(H,26,29)
InChIKeyISTMFPRFSPVVOA-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.75
Rot. Bonds9

About N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30210908) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30210908
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C25H29N3O3S/c1-20-13-15-23(16-14-20)32(30,31)28(24-12-8-7-9-21(24)2)19-25(29)26-17-18-27(3)22-10-5-4-6-11-22/h4-16H,17-19H2,1-3H3,(H,26,29)
InChIKeyISTMFPRFSPVVOA-UHFFFAOYSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30214262
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30228167
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 30206529
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2283020
N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30210908) is N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is ISTMFPRFSPVVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-20-13-15-23(16-14-20)32(30,31)28(24-12-8-7-9-21(24)2)19-25(29)26-17-18-27(3)22-10-5-4-6-11-22/h4-16H,17-19H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 451.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30210908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).