N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C18H21ClN2O3S — CID 43890225

IUPACN-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14(4)18(22)20-16-7-5-6-15(19)10-16/h5-10,14,21H,1-4H3,(H,20,22)
InChIKeyDEWRAYWNNJXNNH-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.57
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890225) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890225
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14(4)18(22)20-16-7-5-6-15(19)10-16/h5-10,14,21H,1-4H3,(H,20,22)
InChIKeyDEWRAYWNNJXNNH-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890288
N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890225) is N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is DEWRAYWNNJXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14(4)18(22)20-16-7-5-6-15(19)10-16/h5-10,14,21H,1-4H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).