N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C20H25ClN2O3S — CID 2448170

IUPACN-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-15-8-11-18(21)17(5-2)20(15)23-19(24)12-13-22-27(25,26)16-9-6-14(3)7-10-16/h6-11,22H,4-5,12-13H2,1-3H3,(H,23,24)
InChIKeySUYZFCIJNBTLQQ-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.08
Rot. Bonds8

About N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2448170) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2448170
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-15-8-11-18(21)17(5-2)20(15)23-19(24)12-13-22-27(25,26)16-9-6-14(3)7-10-16/h6-11,22H,4-5,12-13H2,1-3H3,(H,23,24)
InChIKeySUYZFCIJNBTLQQ-UHFFFAOYSA-N
XLogP4.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
1-(3-chloro-2,6-diethylphenyl)-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]urea
CID 47081847
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 51310542
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 38013271

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 2448170) is N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is SUYZFCIJNBTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-15-8-11-18(21)17(5-2)20(15)23-19(24)12-13-22-27(25,26)16-9-6-14(3)7-10-16/h6-11,22H,4-5,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 408.95 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2448170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).