N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide

C23H24ClN3O3S — CID 57082334

IUPACN-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide
SMILESCc1nsc(NC(=O)Cc2ccc(Oc3ccc(NC(=O)C(C)(C)C)cc3)cc2)c1Cl
InChIInChI=1S/C23H24ClN3O3S/c1-14-20(24)21(31-27-14)26-19(28)13-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(29)23(2,3)4/h5-12H,13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyQYCSVXVASWBREA-UHFFFAOYSA-N
MW457.98 g/mol
LogP6.06
Rot. Bonds6

About N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide

N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide (PubChem CID 57082334) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide
PubChem CID57082334
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide
SMILESCc1nsc(NC(=O)Cc2ccc(Oc3ccc(NC(=O)C(C)(C)C)cc3)cc2)c1Cl
InChIInChI=1S/C23H24ClN3O3S/c1-14-20(24)21(31-27-14)26-19(28)13-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(29)23(2,3)4/h5-12H,13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyQYCSVXVASWBREA-UHFFFAOYSA-N
XLogP6.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]carbamate
CID 15405404
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]acetamide
CID 21347878
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-[4-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)acetamide
CID 4575386
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
CID 132591041
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylbut-3-enyl)-1,3-benzoxazol-5-yl]acetamide
CID 70249702
(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
CID 58907580
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[4-(4-hexa-4,5-dienyl-2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
CID 21347880

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide (CID 57082334) is N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide is Cc1nsc(NC(=O)Cc2ccc(Oc3ccc(NC(=O)C(C)(C)C)cc3)cc2)c1Cl.
What is the InChIKey of N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QYCSVXVASWBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-14-20(24)21(31-27-14)26-19(28)13-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-22(29)23(2,3)4/h5-12H,13H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide?
N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide has a molecular weight of 457.98 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57082334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).