N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide

C16H17BrN2O3S2 — CID 55435016

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-18(11-14-7-8-15(17)23-14)16(20)12-3-5-13(6-4-12)19-9-2-10-24(19,21)22/h3-8H,2,9-11H2,1H3
InChIKeySRRPOWPESWKNOZ-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.32
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide

N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide (PubChem CID 55435016) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
PubChem CID55435016
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H17BrN2O3S2/c1-18(11-14-7-8-15(17)23-14)16(20)12-3-5-13(6-4-12)19-9-2-10-24(19,21)22/h3-8H,2,9-11H2,1H3
InChIKeySRRPOWPESWKNOZ-UHFFFAOYSA-N
XLogP3.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide with MolForge

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058834
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
CID 47121212
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163426
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
CID 17429239
N-[(5-bromothiophen-2-yl)methyl]-4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 31792131
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27839495
N-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839452
N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
5-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222188
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide (CID 55435016) is N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide is CN(Cc1ccc(Br)s1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide?
The InChIKey is SRRPOWPESWKNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-18(11-14-7-8-15(17)23-14)16(20)12-3-5-13(6-4-12)19-9-2-10-24(19,21)22/h3-8H,2,9-11H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide?
N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide has a molecular weight of 429.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide is sourced from PubChem (CID 55435016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).