N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide

C22H23ClN2O3S2 — CID 112816877

IUPACN-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
SMILESCCc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)Nc3cccc(Cl)c3C)cs2)cc1
InChIInChI=1S/C22H23ClN2O3S2/c1-4-16-8-10-17(11-9-16)22-24-18(12-29-22)13-30(27,28)15(3)21(26)25-20-7-5-6-19(23)14(20)2/h5-12,15H,4,13H2,1-3H3,(H,25,26)
InChIKeyIANXJWNEIZVDNC-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.28
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide

N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide (PubChem CID 112816877) has the molecular formula C22H23ClN2O3S2 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
PubChem CID112816877
Molecular FormulaC22H23ClN2O3S2
Molecular Weight463.02 g/mol
Exact Mass462.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
SMILESCCc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)Nc3cccc(Cl)c3C)cs2)cc1
InChIInChI=1S/C22H23ClN2O3S2/c1-4-16-8-10-17(11-9-16)22-24-18(12-29-22)13-30(27,28)15(3)21(26)25-20-7-5-6-19(23)14(20)2/h5-12,15H,4,13H2,1-3H3,(H,25,26)
InChIKeyIANXJWNEIZVDNC-UHFFFAOYSA-N
XLogP5.28
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide
CID 112816880
(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
CID 51936036
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
2-[2-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158127
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55676989
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142859

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide (CID 112816877) is N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide is CCc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)Nc3cccc(Cl)c3C)cs2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide?
The InChIKey is IANXJWNEIZVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S2/c1-4-16-8-10-17(11-9-16)22-24-18(12-29-22)13-30(27,28)15(3)21(26)25-20-7-5-6-19(23)14(20)2/h5-12,15H,4,13H2,1-3H3,(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide has a molecular weight of 463.02 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]propanamide is sourced from PubChem (CID 112816877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).