N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide

C14H16BrN3O3S — CID 17431416

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C14H16BrN3O3S/c1-9-4-10(15)2-3-11(9)17-12(19)5-16-13(20)6-18-8-22-7-14(18)21/h2-4H,5-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyIMOVDGKPFZDHSB-UHFFFAOYSA-N
MW386.27 g/mol
LogP1.35
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide (PubChem CID 17431416) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
PubChem CID17431416
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C14H16BrN3O3S/c1-9-4-10(15)2-3-11(9)17-12(19)5-16-13(20)6-18-8-22-7-14(18)21/h2-4H,5-8H2,1H3,(H,16,20)(H,17,19)
InChIKeyIMOVDGKPFZDHSB-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 27760086
N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]acetamide
CID 17439537
2-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 11940434
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8583622
N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571286
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 2621364
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide (CID 17431416) is N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CSCC1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
The InChIKey is IMOVDGKPFZDHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c1-9-4-10(15)2-3-11(9)17-12(19)5-16-13(20)6-18-8-22-7-14(18)21/h2-4H,5-8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide has a molecular weight of 386.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 17431416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).