N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

C20H25ClN2O3S — CID 26589741

IUPACN-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C20H25ClN2O3S/c1-12-11-13(2)15(4)20(14(12)3)27(25,26)22-10-9-19(24)23-18-8-6-7-17(21)16(18)5/h6-8,11,22H,9-10H2,1-5H3,(H,23,24)
InChIKeyZQCJVRLAJWNSDE-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.19
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide

N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (PubChem CID 26589741) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
PubChem CID26589741
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C20H25ClN2O3S/c1-12-11-13(2)15(4)20(14(12)3)27(25,26)22-10-9-19(24)23-18-8-6-7-17(21)16(18)5/h6-8,11,22H,9-10H2,1-5H3,(H,23,24)
InChIKeyZQCJVRLAJWNSDE-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide (CID 26589741) is N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
The InChIKey is ZQCJVRLAJWNSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-12-11-13(2)15(4)20(14(12)3)27(25,26)22-10-9-19(24)23-18-8-6-7-17(21)16(18)5/h6-8,11,22H,9-10H2,1-5H3,(H,23,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide?
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide has a molecular weight of 408.95 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26589741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).