N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide

C21H28N2O3S — CID 133202321

IUPACN-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O3S/c1-5-17-12-13-18(6-2)19(14-17)15-22-21(24)16(3)23(27(4,25)26)20-10-8-7-9-11-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyNAKHRBZZIPORSU-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.28
Rot. Bonds8

About N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide

N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 133202321) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID133202321
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O3S/c1-5-17-12-13-18(6-2)19(14-17)15-22-21(24)16(3)23(27(4,25)26)20-10-8-7-9-11-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyNAKHRBZZIPORSU-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 133202204
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132666802
2-(4-ethyl-N-methylsulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 132671606
2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 132656255
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 132665744
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide (CID 133202321) is N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide is CCc1ccc(CC)c(CNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is NAKHRBZZIPORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-12-13-18(6-2)19(14-17)15-22-21(24)16(3)23(27(4,25)26)20-10-8-7-9-11-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide?
N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133202321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).